Identifier	Resolution	Method	Chain	Positions	Source
2CIK	1.75 Å	X-ray	C	72-80	PDB
2H6P	1.90 Å	X-ray	C	72-80	PDB


Expression Atlas	ENSG00000108242
GeneCards	2620
HGNC Symbol	HGNC:2620
MIM gene	601131
NCBI gene (formerly Entrezgene)	1562
UniProtKB Gene Name	P33260
WikiGene	1562

	Assay description	Assay tissue	Bioactivities
DANAZOL	Inhibition of CYP2J2 in human liver microsomes using 7 probe cocktail containing phenacetin, paclitaxel, diclofenac, S-mephenytoin, dextromethorphan, astemizole and midazolam after 8 mins by LC-MS/MS analysis	Liver	IC50 < 100.0 nM
DANAZOL	Mixed inhibition of recombinant CYP2J2 (unknown origin)-mediated astemizole O-demethylation in presence of NADPH	—	Ki = 20.0 nM
DANAZOL	Inhibition of recombinant CYP2J2 (unknown origin)-mediated astemizole O-demethylation preincubated for 30 mins followed by substrate addition in presence of NADPH	—	IC50 = 12.0 nM
DANAZOL	Inhibition of CYP2J2-mediated astemizole O-demethylation in human liver microsomes after 8 mins by LC-MS/MS analysis	Liver	IC50 < 100.0 nM
DANAZOL	Inhibition of recombinant CYP2J2 (unknown origin)-mediated astemizole O-demethylation in presence of NADPH	—	IC50 = 19.0 nM
DANAZOL	Inhibition of recombinant CYP2J2 (unknown origin)-mediated terfenadine hydroxylation in presence of NADPH	—	IC50 = 77.0 nM
MICONAZOLE	Inhibition of CYP2J2 in human liver microsomes using 7 probe cocktail containing phenacetin, paclitaxel, diclofenac, S-mephenytoin, dextromethorphan, astemizole and midazolam after 8 mins by LC-MS/MS analysis	Liver	IC50 = 640.0 nM
MICONAZOLE	Inhibition of CYP2J2-mediated astemizole O-demethylation in human liver microsomes after 8 mins by LC-MS/MS analysis	Liver	IC50 = 580.0 nM
TELMISARTAN	Non-competitive inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method and Dixon plot	—	Ki = 100.0 nM
TELMISARTAN	Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method	—	IC50 = 420.0 nM
TELMISARTAN	Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation reduction in astemizole O-demethylation after 30 mins by LC-MS/MS method in absence of 1 mM NADPH	—	IC50 = 540.0 nM
TELMISARTAN	Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation after 30 mins by LC-MS/MS method in presence of 1 mM NADPH	—	IC50 = 540.0 nM
TELMISARTAN	Mixed type inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method	—	Ki = 190.0 nM
AMODIAQUINE	Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method	—	IC50 = 990.0 nM
FLUNARIZINE	Non-competitive inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method and Dixon plot	—	Ki = 100.0 nM
FLUNARIZINE	Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method	—	IC50 = 940.0 nM
FLUNARIZINE	Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation reduction in astemizole O-demethylation after 30 mins by LC-MS/MS method in absence of 1 mM NADPH	—	IC50 = 950.0 nM
FLUNARIZINE	Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation after 30 mins by LC-MS/MS method in presence of 1 mM NADPH	—	IC50 = 760.0 nM
FLUNARIZINE	Non-competitive inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method	—	Ki = 130.0 nM
VORAPAXAR	Activity of human recombinant CYP2J2 assessed as enzyme-mediated ((4aR,6R)-9-{2-[(1R,4S)-5-((S)-3-Fluoro-phenyl)-pyridin-2-yl]-vinyl}-1-methyl-3-oxo-dodecahydro-naphtho[2,3-c]furan-6-yl)-carbamic acid(R)-2-hydroxy-ethyl ester formation at 10 uM after 120 mins by LC-MS/MS analysis in presence of astemizole	—	Inhibition = 87.0 %

Identifier	Resolution	Method	Chain	Positions	Source
None	Predicted	None	1-502	AlphaFold DB


Expression Atlas	ENSG00000134716
GeneCards	2634
HGNC Symbol	HGNC:2634
MIM gene	601258
NCBI gene (formerly Entrezgene)	1573
UniProtKB Gene Name	P51589
UniProtKB Gene Name	P51589
UniProtKB Gene Name	P51589
UniProtKB Gene Name	P51589
WikiGene	1573

	Assay description	Assay tissue	Bioactivities
ACETAMINOPHEN	Inhibition of CYP2E1 (unknown origin) in baculosomes preincubated for 20 mins followed by addition of CYP enzyme-specific substrate and NADP+ and measured after 30 mins by fluorescence based analysis relative to control	—	Inhibition = 50.0 %
ALISKIREN	Inhibition of CYP2E1 in human liver microsomes from 10 healthy donors at 200 uM aliskiren (SPP100)	Liver	Inhibition = -12.8 %
EXEMESTANE	Drug metabolism assessed as human recombinant CYP2E1-mediated 17-hydroexemestane and 6-Hydroxymethylexemestane formation assessed as inhibition of metabolite formation at 10 uM after 10 mins by Michaelis-Menten saturation curve analysis in presence of 50 uM diethylthiocarbamate	—	Inhibition < 20.0 %

Identifier	Resolution	Method	Chain	Positions	Source
3E6I	2.20 Å	X-ray	A/B	32-493	PDB
3T3Z	2.35 Å	X-ray	A/B/C/D	32-493	PDB
3E4E	2.60 Å	X-ray	A/B	32-493	PDB
3GPH	2.70 Å	X-ray	A/B	32-493	PDB
3KOH	2.90 Å	X-ray	A/B	32-493	PDB
3LC4	3.10 Å	X-ray	A/B	32-493	PDB


Expression Atlas	ENSG00000130649
GeneCards	2631
HGNC Symbol	HGNC:2631
MIM gene	124040
NCBI gene (formerly Entrezgene)	1571
UniProtKB Gene Name	P05181
UniProtKB Gene Name	P05181
UniProtKB Gene Name	P05181
UniProtKB Gene Name	P05181
WikiGene	1571

Cytochrome P450 2C8

Ensembl ID : ENSG00000138115
Gene: CYP2C8
UniProtKB Entry: P10632

	Assay description	Assay tissue	Bioactivities
ACETAMINOPHEN	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
ANIDULAFUNGIN	Inhibition of human CYP2C8 at 17.5 uM in presence of rosiglitazone	—	Inhibition = 34.3 %
CARBAMAZEPINE	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
CELECOXIB	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
CLOTRIMAZOLE	Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 8 mins by LC-MS/MS analysis	Liver	IC50 = 803.0 nM
CLOZAPINE	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
COLCHICINE	Inhibition of CYP2C8 (unknown origin) at 3 uM	—	Inhibition = 20.4 %
DICLOFENAC	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
ERYTHROMYCIN	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
ETHINYL ESTRADIOL	Time dependent inhibition of CYP2C8 (unknown origin) at 10 uM by LC/MS system	—	Inhibition < 10.0 %
FLUTAMIDE	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
FUROSEMIDE	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
IMATINIB MESYLATE	Activity of CYP2C8 in human liver microsomes assessed as inhibition of montelukast-mediated N-desmethylimatinib formation at 0.1 uM after 5 mins by LC/MS analysis	Liver	Inhibition = 45.0 %
IMATINIB MESYLATE	Activity of CYP2C8 in human liver microsomes assessed as inhibition of GEM-G-mediated N-desmethylimatinib formation at 0.1 uM after 5 mins by LC/MS analysis	Liver	Inhibition = 45.0 %
LEVOFLOXACIN	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
OLANZAPINE	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
PACLITAXEL	Inhibition of human CYP2C8 at 10 uM	—	Inhibition = 80.89 %
PHENYTOIN	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
RITONAVIR	Time dependent inhibition of CYP2C8 (unknown origin) at 10 uM by LC/MS system	—	Inhibition < 10.0 %
SULFAMETHOXAZOLE	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
VALPROIC ACID	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
VALSARTAN	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
VORICONAZOLE	Inhibition of CYP2C8 in human liver microsomes assessed as amodiquine N-deethylation at 100 uM after 15 mins	Liver	Inhibition = 25.0 %
ZAFIRLUKAST	Time dependent inhibition of CYP2C8 (unknown origin) at 3 uM by LC/MS system	—	Inhibition < 10.0 %
AMIODARONE	Inhibition of CYP2C8-mediated paclitaxel metabolite formation in human liver microsomes at 5 uM after 8 mins by LC-MS/MS analysis relative to control	Liver	Inhibition = 32.7 %
AMLODIPINE	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
AMODIAQUINE	Time dependent inhibition of CYP2C8 (unknown origin) at 30 uM by LC/MS system	—	Inhibition < 10.0 %
ATORVASTATIN	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
BENZBROMARONE	Time dependent inhibition of CYP2C8 (unknown origin) at 3 uM by LC/MS system	—	Inhibition < 10.0 %
CAFFEINE	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
CPI-1205	Inhibition of CYP2C8 (unknown origin) at 10 uM relative to control	—	Inhibition = 41.0 %
DONEPEZIL	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
FLUOXETINE	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
OLMESARTAN	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
PF-05105679	Inhibition of CYP2C8 (unknown origin) at 3 uM	—	Inhibition = 0.0 %
PRAVASTATIN	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
PROCAINAMIDE	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
PROPRANOLOL	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
QUERCETIN	Inhibition of CYP2C8 in human liver microsomes at 10 uM incubated for 5 mins followed by NADPH addition by LC-MS/MS analysis relative to control	Liver	Inhibition = 95.0 %
RELACORILANT	Inhibition of CYP2C8 (unknown origin)	—	IC50 = 210.0 nM
ROSIGLITAZONE	Time dependent inhibition of CYP2C8 (unknown origin) at 10 uM by LC/MS system	—	Inhibition < 10.0 %
TAMOXIFEN	Time dependent inhibition of CYP2C8 (unknown origin) at 10 uM by LC/MS system	—	Inhibition < 10.0 %
TICLOPIDINE	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
VERAPAMIL	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
WARFARIN	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
IMIPRAMINE	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
CLOPIDOGREL	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
PIOGLITAZONE	Time dependent inhibition of CYP2C8 (unknown origin) at 30 uM by LC/MS system	—	Inhibition < 10.0 %
ZOMEPIRAC	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
BRILANESTRANT	Inhibition of CYP2C8 (unknown origin)	—	IC50 < 100.0 nM
AMINOPYRINE	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
ASTEMIZOLE	Inhibition of CYP2C8-mediated paclitaxel metabolite formation in human liver microsomes at 0.3 uM after 8 mins by LC-MS/MS analysis relative to control	Liver	Inhibition = 1.1 %
TACRINE	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
TICRYNAFEN	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
MAVELERTINIB	Inhibition of human CYP2C8 at 10 uM	—	Inhibition < 30.0 %
AZD-3759	Inhibition of CYP2C8 (unknown origin)	—	IC50 > 50.0 nM
INDOMETHACIN	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition = 14.0 %
EXEMESTANE	Drug metabolism assessed as human recombinant CYP2C8-mediated 17-hydroexemestane and 6-Hydroxymethylexemestane formation assessed as inhibition of metabolite formation at 10 uM after 10 mins by Michaelis-Menten saturation curve analysis in presence of 20 uM quercetin	—	Inhibition < 20.0 %
NEVIRAPINE	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
ZIMLOVISERTIB	Inhibition of CYP2C8 in human liver microsomes at 3 uM	Liver	Inhibition < 5.0 %
EMAVUSERTIB	Inhibition of CYP2C8 (unknown origin) at 1 uM relative to control	—	Inhibition < 5.0 %

>ENSG00000138115|Cytochrome P450 2C8
MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFKKSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPV

Identifier	Resolution	Method	Chain	Positions	Source
2NNJ	2.28 Å	X-ray	A	28-490	PDB
2NNH	2.60 Å	X-ray	A/B	28-490	PDB
1PQ2	2.70 Å	X-ray	A/B	19-490	PDB
2VN0	2.70 Å	X-ray	A	28-490	PDB
2NNI	2.80 Å	X-ray	A	28-490	PDB

Metabolism R-HSA-1430728
Biological oxidations R-HSA-211859
Cytochrome P450 - arranged by substrate type R-HSA-211897
Phase I - Functionalization of compounds R-HSA-211945
Xenobiotics R-HSA-211981
CYP2E1 reactions R-HSA-211999
Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET) R-HSA-2142670
Arachidonate metabolism R-HSA-2142753
Synthesis of (16-20)-hydroxyeicosatetraenoic acids (HETE) R-HSA-2142816
Metabolism of lipids R-HSA-556833
Fatty acid metabolism R-HSA-8978868
Biosynthesis of DHA-derived SPMs R-HSA-9018677
Biosynthesis of specialized proresolving mediators (SPMs) R-HSA-9018678
Biosynthesis of maresins R-HSA-9018682
Biosynthesis of maresin-like SPMs R-HSA-9027307
Drug ADME R-HSA-9748784
Aspirin ADME R-HSA-9749641


Expression Atlas	ENSG00000138115
GeneCards	2622
HGNC Symbol	HGNC:2622
MIM gene	601129
MIM morbid	618018
NCBI gene (formerly Entrezgene)	1558
UniProtKB Gene Name	P10632
UniProtKB Gene Name	P10632
UniProtKB Gene Name	P10632
UniProtKB Gene Name	P10632
UniProtKB Gene Name	P10632
UniProtKB Gene Name	P10632
WikiGene	1558

Cytochrome P450 2C9

Ensembl ID : ENSG00000138109
Gene: CYP2C9
UniProtKB Entry: P11712

Title : Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
Authors : Borsari C, Jiménez-Antón MD, Eick J, Bifeld E, Torrado JJ, Olías-Molero AI, Corral MJ, Santarem N, Baptista C, Severi L, Gul S, Wolf M, Kuzikov M, Ellinger B, Reinshagen J, Witt G, Linciano P, Tait A, Costantino L, Luciani R, Tejera Nevado P, Zander-Dinse D, Franco CH, Ferrari S, Moraes CB, Cordeiro-da-Silva A, Ponterini G, Clos J, Alunda JM, Costi MP.
Publication Year : 2019
Journal : Eur J Med Chem
Abstract :
Leishmaniasis, a major health problem worldwide, has a limited arsenal of drugs for its control. The appearance of resistance to first- and second-line anti-leishmanial drugs confirms the need to develop new and less toxic drugs that overcome spontaneous resistance. In the present study, we report the design and synthesis of a novel library of 38 flavonol-like compounds and their evaluation in a panel of assays encompassing parasite killing, pharmacokinetics, genomics and ADME-Toxicity resulting in the progression of a compound in the drug discovery value chain. Compound 19, 2-(benzo[b]thiophen-3-yl)-3-hydroxy-6-methoxy-4H-chromen-4-one, exhibited a broad-spectrum activity against Leishmania spp. (EC50 1.9 μM for Leishmania infantum, 3.4 μM for L. donovani, 6.7 μM for L. major), Trypanosoma cruzi (EC50 7.5 μM) and T. brucei (EC50 0.8 μM). Focusing on anti-Leishmania activity, compound 19 challenge in vitro did not select for resistance markers in L. donovani, while a Cos-Seq screening for dominant resistance genes identified a gene locus on chromosome 36 that became ineffective at concentrations beyond EC50. Thus, compound 19 is a promising scaffold to tackle drug resistance in Leishmania infection. In vivo pharmacokinetic studies indicated that compound 19 has a long half-life (intravenous (IV): 63.2 h; per os (PO): 46.9 h) with an acceptable ADME-Toxicity profile. When tested in Leishmania infected hamsters, no toxicity and limited efficacy were observed. Low solubility and degradation were investigated spectroscopically as possible causes for the sub-optimal pharmacokinetic properties. Compound 19 resulted a specific compound based on the screening against a protein set, following the intrinsic fluorescence changes.
DOI : 10.1016/j.ejmech.2019.111676

Title : Semisynthesis, cytotoxicity, antiviral activity, and drug interaction liability of 7-O-methylated analogues of flavonolignans from milk thistle.
Authors : Althagafy HS, Graf TN, Sy-Cordero AA, Gufford BT, Paine MF, Wagoner J, Polyak SJ, Croatt MP, Oberlies NH.
Publication Year : 2013
Journal : Bioorg. Med. Chem.
Abstract :
Silymarin, an extract of the seeds of milk thistle (Silybum marianum), is used as an herbal remedy, particularly for hepatoprotection. The main chemical constituents in silymarin are seven flavonolignans. Recent studies explored the non-selective methylation of one flavonolignan, silybin B, and then tested those analogues for cytotoxicity and inhibition of both cytochrome P450 (CYP) 2C9 activity in human liver microsomes and hepatitis C virus infection in a human hepatoma (Huh7.5.1) cell line. In general, enhanced bioactivity was observed with the analogues. To further probe the biological consequences of methylation of the seven major flavonolignans, a series of 7-O-methylflavonolignans were generated. Optimization of the reaction conditions permitted selective methylation at the phenol in the 7-position in the presence of each metabolite's 4-5 other phenolic and/or alcoholic positions without the use of protecting groups. These 7-O-methylated analogues, in parallel with the corresponding parent compounds, were evaluated for cytotoxicity against Huh7.5.1 cells; in all cases the monomethylated analogues were more cytotoxic than the parent compounds. Moreover, parent compounds that were relatively non-toxic and inactive or weak inhibitors of hepatitis C virus infection had enhanced cytotoxicity and anti-HCV activity upon 7-O-methylation. Also, the compounds were tested for inhibition of major drug metabolizing enzymes (CYP2C9, CYP3A4/5, UDP-glucuronsyltransferases) in pooled human liver or intestinal microsomes. Methylation of flavonolignans differentially modified inhibitory potency, with compounds demonstrating both increased and decreased potency depending upon the compound tested and the enzyme system investigated. In total, these data indicated that monomethylation modulates the cytotoxic, antiviral, and drug interaction potential of silymarin flavonolignans.
DOI : 10.1016/j.bmc.2013.04.017

	Assay description	Assay tissue	Bioactivities
ACETAMINOPHEN	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
CARBAMAZEPINE	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
CELECOXIB	Time dependent inhibition of CYP2C9 (unknown origin) at 30 uM by LC/MS system	—	Inhibition < 10.0 %
CLOTRIMAZOLE	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 8 mins by LC-MS/MS analysis	Liver	IC50 = 136.0 nM
CLOZAPINE	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
COLCHICINE	Inhibition of CYP2C9 (unknown origin) at 3 uM	—	Inhibition = 11.1 %
DICLOFENAC	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
DOLUTEGRAVIR	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate at 100 uM preincubated for 20 mins with substrate prior to initiation of reaction with NADPH by HPLC analysis	Liver	Inhibition = 20.0 %
ERYTHROMYCIN	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
ETHINYL ESTRADIOL	Time dependent inhibition of CYP2C9 (unknown origin) at 30 uM by LC/MS system	—	Inhibition = 27.0 %
FLUCONAZOLE	Inhibition of CYP2C9 (unknown origin) at 120 uM by luminescent readout-based method	—	Inhibition = 89.09 %
FLUCONAZOLE	Inhibition of CYP2C9 (unknown origin) at 120 uM by P450-glo assay	—	Inhibition = 89.09 %
FLUTAMIDE	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
FUROSEMIDE	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
KETOCONAZOLE	Inhibition of CYP2C9 in human liver microsomes assessed as tolbutamide hydroxylation to hydroxytolbutamide at 1 uM after 10 mins relative to control	Liver	Inhibition = 22.0 %
LEVOFLOXACIN	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
MILTEFOSINE	Inhibition of human microsomal CYP2C9 expressed in baculovirus infected insect cells at 10 uM using luciferin-H as substrate preincubated with enzyme/substrate mixture for 30 mins followed by further incubation with NADPH for 30 mins by CYP450 luciferase Glo assay relative to control	—	Inhibition = -0.8 %
OLANZAPINE	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
PHENYTOIN	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
RILPIVIRINE	Inhibition of CYP2C9 in human liver microsomes using diclofenac substrate incubated for 10 mins in presence of NADPH	Liver	IC50 = 346.0 nM
RILPIVIRINE	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysis	Liver	IC50 = 346.0 nM
RILPIVIRINE	Inhibition of human CYP2C9 using tolbutamide as substrate in presence of NADPH incubated for 15 to 45 mins	—	IC50 = 346.0 nM
RITONAVIR	Time dependent inhibition of CYP2C9 (unknown origin) at 3 uM by LC/MS system	—	Inhibition < 10.0 %
SULFADIAZINE	Inhibition of human CYP2C9 assessed as (S)-Flurbiprofen hydroxylation	—	Inhibition = -17.1 %
SULFAMETHOXAZOLE	Inhibition of human CYP2C9 assessed as (S)-Flurbiprofen hydroxylation	—	Inhibition = -17.1 %
SULFAMETHOXAZOLE	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
SULFANILAMIDE	Inhibition of human CYP2C9 assessed as (S)-Flurbiprofen hydroxylation	—	Inhibition = -17.8 %
SULFAPHENAZOLE	Inhibition of human CYP2C9 at 10 uM	—	Inhibition > 90.0 %
SULFAPHENAZOLE	Inhibition of CYP2C9 in human liver microsomes using (S)-warfarin as substrate after 30 mins	Liver	Inhibition = 67.0 %
SULFAPHENAZOLE	Inhibition of CYP2C9 in human liver microsomes assessed as tolbutamide hydroxylation to hydroxytolbutamide at 10 uM after 10 mins relative to control	Liver	Inhibition = 92.0 %
SULFAPHENAZOLE	Inhibition of CYP2C9 (unknown origin) at 10 uM relative to control	—	Inhibition = 75.79 %
SULFAPHENAZOLE	Inhibition of human CYP2C9 at 10 uM	—	Inhibition = 96.0 %
SULFAPHENAZOLE	Inhibition of recombinant human CYP2C9 preincubated at 10 uM for 5 mins before fluorescent substrate addition by fluorescence assay	—	Inhibition = 11.3 %
SULFAPHENAZOLE	Inhibitory activity of 3 uM sulfaphenazole on 56 Pmoles of cDNA-derived CYP2C9 enzyme in microsome prepared from human lymphoblastoid cell line	—	Inhibition = 83.0 %
SULFAPHENAZOLE	Inhibitory activity of 3 uM sulfaphenazole on 59 Pmoles of cDNA-derived CYP2C9 enzyme in microsome prepared from human lymphoblastoid cell line	—	Inhibition = 82.0 %
SULFAPHENAZOLE	Inhibitory activity of 3 uM sulfaphenazole on 80 Pmoles of cDNA-derived CYP2C9 enzyme in microsome prepared from human lymphoblastoid cell line	—	Inhibition = 75.0 %
SULFAPHENAZOLE	Inhibition of human CYP2C9 at 10 uM preincubated for 10 mins with cofactor followed by mixture of enzyme-substrate addition by fluorescence assay relative to control	—	Inhibition = 93.7 %
SULFAPHENAZOLE	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate at 10 uM preincubated for 5 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysis relative to control	Liver	Inhibition = 98.0 %
SULFAPHENAZOLE	Inhibition of CYP2C9 in human liver microsomes at 5 uM using diclofenac sodium as substrate by LC-MS/MS analysis relative to control	Liver	Inhibition = 94.9 %
SULFAPHENAZOLE	Inhibition of recombinant human CYP2C9 expressed in insect cell microsomes at 10 uM using Luciferin-H as substrate preincubated for 30 mins followed by NADPH addition measured after 30 mins by luminometric method	—	Inhibition = 98.0 %
SULFAPHENAZOLE	Inhibition of human CYP2C9 in human liver microsomes at 50 times IC50 concentration relative to control	Liver	Inhibition = 96.5 %
SULFAPHENAZOLE	Inhibition of CYP2C9 in human liver microsomes at 10 uM using diclofenac as substrate preincubated for 5 mins followed by NADPH addition and measured after 20 mins by LC-MS/MS analysis relative to control	Liver	Inhibition = 82.0 %
SULFAPHENAZOLE	Inhibition of CYP2C9 (unknown origin) at 0.5 uM relative to control	—	Inhibition = 48.3 %
SULFAPHENAZOLE	Inhibition of CYP2C9 in human liver Microsome using diclofenac as substrate preincubated for 10 mins followed by NADPH addition and further incubated for 10 mins as substrate by LC-MS/MS analysis relative to control	Liver	Inhibition = 84.5 %
SULFAPHENAZOLE	Inhibition of CYP2C9 (unknown origin) at 1 uM using diclofenac as substrate relative to control	—	Inhibition = 79.9 %
SULFAPHENAZOLE	Inhibition of CYP2C9 in human liver microsomes	Liver	IC50 = 350.0 nM
SULFAPHENAZOLE	Inhibition of human CYP2C9	—	IC50 = 250.0 nM
SULFAPHENAZOLE	Inhibition of human recombinant CYP2C9 expressed in insect microsomes	—	IC50 = 318.0 nM
SULFAPHENAZOLE	Inhibition of human recombinant CYP2C9 expressed in baculovirus-infected insect microsomes	—	IC50 = 318.0 nM
SULFAPHENAZOLE	Inhibition of human CYP2C9	—	IC50 = 250.0 nM
SULFAPHENAZOLE	Inhibition of human CYP2C9 expressed in baculovirus-infected insect microsomes	—	IC50 = 318.0 nM
SULFAPHENAZOLE	Inhibition of recombinant CYP2C9 (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate	—	IC50 = 180.0 nM
SULFAPHENAZOLE	Inhibition of CYP2C9 in human liver microsome	Liver	IC50 = 180.0 nM
SULFAPHENAZOLE	Inhibition of CYP2C9 (unknown origin) using luciferin tagged substrate preincubated for 10 mins before substrate addition	—	IC50 = 80.0 nM
SULFAPHENAZOLE	Inhibition of human recombinant CYP2C9 using MFC as substrate incubated for 40 mins by fluorimetry	—	IC50 = 180.0 nM
SULFAPHENAZOLE	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 20 mins by LC-MS analysis	Liver	IC50 = 740.0 nM
SULFAPHENAZOLE	Inhibition of CYP2C9 in human liver using microsomes diclofenac as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC/MS/MS method	Liver	IC50 = 704.0 nM
SULFAPHENAZOLE	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 5 to 15 mins	Liver	IC50 = 205.0 nM
SULFAPHENAZOLE	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC/MS/MS analysis	Liver	IC50 = 535.0 nM
SULFAPHENAZOLE	Inhibition of CYP2C9 in human liver microsomes assessed as tolbutamide methylhydroxylation after 4 to 40 mins in presence of NADPH by LCMS analysis	Liver	IC50 = 720.0 nM
SULFAPHENAZOLE	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysis	Liver	IC50 = 462.0 nM
SULFAPHENAZOLE	Inhibition of CYP2C9 in pooled human liver microsomes pre-incubated for 5 mins before NADPH addition and measured after 10 mins by UPLC-MS/MS analysis relative to control	Liver	IC50 = 685.0 nM
SULFAPHENAZOLE	Inhibition of CYP2C9 in human liver microsomes using diclofenac substrate incubated for 10 mins in presence of NADPH	Liver	IC50 = 660.0 nM
SULFAPHENAZOLE	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 10 mins in presence of NADPH	Liver	IC50 = 660.0 nM
SULFAPHENAZOLE	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 10 mins in presence of NADP by LC-MS/MS analysis	Liver	IC50 = 847.0 nM
SULFAPHENAZOLE	Inhibition of CYP2C9 in human liver microsomes using diclofenac substrate in presence of NADPH incubated for 10 mins	Liver	IC50 = 609.0 nM
SULFAPHENAZOLE	Inhibition of human CYP2C9 by fluorescence method	—	IC50 = 280.0 nM
SULFAPHENAZOLE	Inhibition of CYP2C9 in human liver microsome using probe substrate measured after 20 mins in presence of NADPH by LC-MS/MS analysis	Liver	IC50 = 609.0 nM
SULFAPHENAZOLE	Inhibition of CYP2C9 in human liver microsomes after 20 mins by LC-MS/MS analysis	Liver	IC50 = 770.0 nM
SULFAPHENAZOLE	Inhibition of CYP2C9 (unknown origin)	—	IC50 = 630.0 nM
SULFAPHENAZOLE	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 5 mins followed by NADPH addition and measured after 20 mins by LC-MS/MS analysis	Liver	IC50 = 893.0 nM
SULFAPHENAZOLE	Inhibition of CYP2C9 in human liver microsomes using Diclofenac as substrate measured after 20 mins by LC-MS/MS analysis	Liver	IC50 = 367.0 nM
SULFAPHENAZOLE	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysis	Liver	IC50 = 586.0 nM
SULFAPHENAZOLE	Inhibition of CYP2C9 in human liver microsome using tolbutamide as substrate	Liver	IC50 = 641.0 nM
TOLBUTAMIDE	Inhibition of human CYP2C9 at 10 uM	—	Inhibition = 87.68 %
VALPROIC ACID	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
VALSARTAN	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
VORINOSTAT	Percent inhibition of CYP450 2C9 at 1 uM concentration	—	Inhibition = 28.0 %
ZAFIRLUKAST	Time dependent inhibition of CYP2C9 (unknown origin) at 10 uM by LC/MS system	—	Inhibition < 10.0 %
ALISKIREN	Inhibition of CYP2C8 in human liver microsomes from 10 healthy donors at 200 uM aliskiren (SPP100)	Liver	Inhibition = 4.5 %
ALISKIREN	Inhibition of CYP2C9 in human liver microsomes from 10 healthy donors at 200 uM aliskiren (SPP100)	Liver	Inhibition = 32.1 %
ALISKIREN	Inhibitory activity of 20 uM SPP100 on 227 Pmoles of cDNA-derived CYP2C9 enzyme in microsome prepared from human lymphoblastoid cell line	—	Inhibition = 13.1 %
ALISKIREN	Inhibitory activity of 20 uM SPP100 on 259 Pmoles of cDNA-derived CYP2C9 enzyme in microsome prepared from human lymphoblastoid cell line	—	Inhibition = 0.9 %
ALISKIREN	Inhibitory activity of 20 uM SPP100 on 258 Pmoles of cDNA-derived CYP2C9 enzyme in microsome prepared from human lymphoblastoid cell line	—	Inhibition = 1.3 %
ALISKIREN	Inhibitory activity of 200 uM SPP100 on 222 Pmoles of cDNA-derived CYP2C9 enzyme in microsome prepared from human lymphoblastoid cell line	—	Inhibition = 14.9 %
ALISKIREN	Inhibitory activity of 200 uM SPP100 on 201 Pmoles of cDNA-derived CYP2C9 enzyme in microsome prepared from human lymphoblastoid cell line	—	Inhibition = 23.0 %
ALISKIREN	Inhibitory activity of 200 uM SPP100 on 220 Pmoles of cDNA-derived CYP2C9 enzyme in microsome prepared from human lymphoblastoid cell line	—	Inhibition = 15.8 %
AMIODARONE	Inhibition of CYP2C9-mediated diclofenac metabolite formation in human liver microsomes at 5 uM after 8 mins by LC-MS/MS analysis relative to control	Liver	Inhibition = 68.3 %
AMLODIPINE	Time dependent inhibition of CYP2C9 (unknown origin) at 30 uM by LC/MS system	—	Inhibition < 10.0 %
AMODIAQUINE	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
ATORVASTATIN	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
BATEFENTEROL	Inhibition of CYP2C9 (unknown origin) at 600 nM	—	Inhibition < 20.0 %
BENZBROMARONE	Time dependent inhibition of CYP2C9 (unknown origin) at 1 uM by LC/MS system	—	Inhibition < 10.0 %
BENZBROMARONE	Inhibition of human CYP2C9	—	Ki = 19.0 nM
BENZBROMARONE	Inhibition of CYP2C9 (unknown origin)	—	IC50 = 41.0 nM
BENZBROMARONE	Inhibition of CYP2C9 (unknown origin)	—	IC50 = 41.0 nM
CAFFEINE	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
CFI-400945	Inhibition of CYP2C9 (unknown origin) by fluorescence assay	—	IC50 = 940.0 nM
CPI-1205	Inhibition of CYP2C9 (unknown origin) at 10 uM relative to control	—	Inhibition = 11.1 %
DONEPEZIL	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
FASIGLIFAM	Inhibition of CYP2C9 in human liver microsomes at 5 uM using diclofenac sodium as substrate by LC-MS/MS analysis relative to control	Liver	Inhibition = 21.02 %
FLUOXETINE	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
NALMEFENE	Inhibition of human CYP2C9 at 10 uM	—	Inhibition = 35.0 %
NICARDIPINE	Inhibition of human cytochrome P450 2C9	—	Ki = 280.0 nM
NICARDIPINE	Inhibition of CYP2C9 in human liver microsomes using tolbutamide substrate by LC-MS/MS method	Liver	IC50 = 660.0 nM
NICARDIPINE	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 8 mins by LC-MS/MS analysis	Liver	IC50 = 378.0 nM
OLMESARTAN	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
PF-05105679	Inhibition of CYP2C9 (unknown origin) at 3 uM	—	Inhibition = 0.0 %
PLINABULIN	Inhibition of CYP2C9 in human liver microsomes preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysis	Liver	IC50 = 530.0 nM
PRAVASTATIN	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
PROCAINAMIDE	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
PROPRANOLOL	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
QUINIDINE	Inhibition of CYP2C9 in human liver microsomes assessed as tolbutamide hydroxylation to hydroxytolbutamide at 10 uM after 10 mins relative to control	Liver	Inhibition = 9.0 %
RIMONABANT	Inhibition of CYP2C9 in human liver microsomes after 30 mins	Liver	IC50 = 5.3 nM
ROSIGLITAZONE	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
TALAZOPARIB	Inhibition of CYP2C9 (unknown origin) at 10 uM	—	Inhibition < 12.0 %
TAMOXIFEN	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
TARANABANT	Inhibition of CYP2C9 in human liver microsomes after 30 mins	Liver	IC50 = 0.93 nM
TICLOPIDINE	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
VERAPAMIL	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
WARFARIN	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
IMIPRAMINE	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
ABIRATERONE	Inhibition of human hepatic CYP2C9 at 1 uM relative to control	—	Inhibition = 31.6 %
ABIRATERONE	Inhibition of human hepatic CYP2C9 at 10 uM relative to control	—	Inhibition = 82.5 %
CHLOROQUINE	Inhibition of CYP2C9 in human liver microsomes assessed as metabolite produced at 1 uM by LC-MS/MS analysis relative to control	Liver	Inhibition = 114.0 %
CHLOROQUINE	Inhibition of CYP2C9 in human liver microsomes assessed as metabolite produced at 10 uM by LC-MS/MS analysis relative to control	Liver	Inhibition = 128.0 %
CLOPIDOGREL	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
PIOGLITAZONE	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
ZOMEPIRAC	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
SULFAMETHAZINE	Inhibition of human CYP2C9 assessed as (S)-Flurbiprofen hydroxylation	—	Inhibition = -18.8 %
DORAMAPIMOD	Inhibition of CYP2C9 (unknown origin) at 30 uM	—	Inhibition = 13.0 %
AMINOPYRINE	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
PF-00562271	Inhibition of CYP2C9 (unknown origin) at 10 uM relative to control	—	Inhibition = 42.7 %
LUMINESPIB	Inhibition of CYP2C9 in human liver microsomes at 10 uM after 20 mins	Liver	Inhibition = 46.0 %
CHS-828	Reversible inhibition of CYP2C9 in human liver microsomes using (S)-warfarin as substrate in presence of NADPH by LC-MS/MS analysis	Liver	IC50 = 120.0 nM
ADL-5747	Inhibition of human CYP2C9 at 10 uM	—	Inhibition = 11.4 %
FIBOFLAPON	Inhibition of human CYP2C9	—	IC50 > 50.0 nM
ASTEMIZOLE	Inhibition of CYP2C9-mediated diclofenac metabolite formation in human liver microsomes at 0.3 uM after 8 mins by LC-MS/MS analysis relative to control	Liver	Inhibition = -2.7 %
TACRINE	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
BERGAPTEN	Inhibition of recombinant human CYP2C9 expressed in baker's yeast-derived microsomes (Sacchrosomes) at 10 uM using 3-cyano-7-ethoxycoumarin substrate by EROD assay relative to control	—	Inhibition = 4.0 %
TICRYNAFEN	Time dependent inhibition of CYP2C9 (unknown origin) at 10 uM by LC/MS system	—	Inhibition = 28.0 %
MAVELERTINIB	Inhibition of human CYP2C9 at 10 uM	—	Inhibition < 30.0 %
LY-2886721	Inhibition of CYP2C9 in human liver microsomes at 10 uM using diclofenac as substrate preincubated for 10 mins followed by substrate and NADPH addition measured after 3 mins by LC-MS/MS analysis	Liver	Inhibition = 48.0 %
AZD-3759	Inhibition of CYP2C9 (unknown origin)	—	IC50 > 50.0 nM
VACTOSERTIB	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate at 10 uM incubated for 5 mins prior to substrate addition measured after 10 mins by LC/MS/MS analysis	Liver	Inhibition = 30.1 %
INDOMETHACIN	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
PLUMBAGIN	Inhibition of recombinant human CYP2C9 expressed in baker's yeast-derived microsomes (Sacchrosomes) at 10 uM using 3-cyano-7-ethoxycoumarin substrate by EROD assay relative to control	—	Inhibition = 11.0 %
EXEMESTANE	Drug metabolism assessed as human recombinant CYP2C9-mediated 17-hydroexemestane and 6-Hydroxymethylexemestane formation assessed as inhibition of metabolite formation at 10 uM after 10 mins by Michaelis-Menten saturation curve analysis in presence of 50 uM sulfaphenazole	—	Inhibition < 20.0 %
NEVIRAPINE	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
OLVEREMBATINIB	Inhibition of human recombinant CYP2C9 after 30 mins	—	IC50 = 110.0 nM
ALDUMASTAT	Inhibition of CYP2C9 (unknown origin) at 10 uM	—	Inhibition < 50.0 %
ZIMLOVISERTIB	Inhibition of CYP2C9 in human liver microsomes at 3 uM	Liver	Inhibition < 5.0 %
DS-1971	Inhibition of CYP2C9 (unknown origin) at 10 uM relative to control	—	Inhibition = 70.0 %
DS-1971	Inhibition of CYP2C9 (unknown origin) at 10 uM relative to control	—	Inhibition = 86.8 %
EMAVUSERTIB	Inhibition of CYP2C9 (unknown origin) at 1 uM relative to control	—	Inhibition < 5.0 %

>ENSG00000138109|Cytochrome P450 2C9
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV

Identifier	Resolution	Method	Chain	Positions	Source
5X23	2.00 Å	X-ray	A	19-490	PDB
1R9O	2.00 Å	X-ray	A	18-490	PDB
5A5I	2.00 Å	X-ray	A	23-489	PDB
5W0C	2.00 Å	X-ray	A	18-489	PDB
7RL2	2.23 Å	X-ray	A	24-490	PDB
5XXI	2.30 Å	X-ray	A	28-489	PDB
5K7K	2.30 Å	X-ray	A	23-489	PDB
4NZ2	2.45 Å	X-ray	A/B	30-490	PDB
5X24	2.48 Å	X-ray	A	19-490	PDB
8VZ7	2.53 Å	X-ray	A	24-490	PDB
1OG5	2.55 Å	X-ray	A/B	30-490	PDB
1OG2	2.60 Å	X-ray	A/B	30-490	PDB
5A5J	2.90 Å	X-ray	A	23-489	PDB
8VX0	3.05 Å	X-ray	A	24-490	PDB
6VLT	3.12 Å	X-ray	A/B/C/D/E/F/G/H	19-490	PDB


Expression Atlas	ENSG00000138109
GeneCards	2623
HGNC Symbol	HGNC:2623
LRG display in Ensembl gene	LRG_1195
MIM gene	601130
MIM morbid	122700
NCBI gene (formerly Entrezgene)	1559
UniProtKB Gene Name	S5RV20
UniProtKB Gene Name	S5RV20
UniProtKB Gene Name	S5RV20
WikiGene	1559

Cytochrome P450 2S1

Ensembl ID : ENSG00000167600
Gene: CYP2S1
UniProtKB Entry: Q96SQ9

No data availalbe!

>ENSG00000167600|Cytochrome P450 2S1
MEATGTWALLLALALLLLLTLALSGTRARGHLPPGPTPLPLLGNLLQLRPGALYSGLMRLSKKYGPVFTIYLGPWRPVVVLVGQEAVREALGGQAEEFSGRGTVAMLEGTFDGHGVFFSNGERWRQLRKFTMLALRDLGMGKREGEELIQAEARCLVETFQGTEGRPFDPSLLLAQATSNVVCSLLFGLRFSYEDKEFQAVVRAAGGTLLGVSSQGGQTYEMFSWFLRPLPGPHKQLLHHVSTLAAFTVRQVQQHQGNLDASGPARDLVDAFLLKMAQEEQNPGTEFTNKNMLMTVIYLLFAGTMTVSTTVGYTLLLLMKYPHVQKWVREELNRELGAGQAPSLGDRTRLPYTDAVLHEAQRLLALVPMGIPRTLMRTTRFRGYTLPQGTEVFPLLGSILHDPNIFKHPEEFNPDRFLDADGRFRKHEAFLPFSLGKRVCLGEGLAKAELFLFFTTILQAFSLESPCPPDTLSLKPTVSGLFNIPPAFQLQVRPTDLHSTTQTR

AF-Q96SQ9-F1

Identifier	Resolution	Method	Chain	Positions	Source
None	Predicted	None	1-504	AlphaFold DB


Expression Atlas	ENSG00000167600
GeneCards	15654
HGNC Symbol	HGNC:15654
MIM gene	611529
NCBI gene (formerly Entrezgene)	29785
UniProtKB Gene Name	Q96SQ9
UniProtKB Gene Name	Q96SQ9
UniProtKB Gene Name	Q96SQ9
UniProtKB Gene Name	Q96SQ9
UniProtKB Gene Name	Q96SQ9
UniProtKB Gene Name	Q96SQ9
WikiGene	29785

Cytochrome P450 2U1

Ensembl ID : ENSG00000155016
Gene: CYP2U1
UniProtKB Entry: Q7Z449

No data availalbe!

>ENSG00000155016|Cytochrome P450 2U1
MSSPGPSQPPAEDPPWPARLLRAPLGLLRLDPSGGALLLCGLVALLGWSWLRRRRARGIPPGPTPWPLVGNFGHVLLPPFLRRRSWLSSRTRAAGIDPSVIGPQVLLAHLARVYGSIFSFFIGHYLVVVLSDFHSVREALVQQAEVFSDRPRVPLISIVTKEKGVVFAHYGPVWRQQRKFSHSTLRHFGLGKLSLEPKIIEEFKYVKAEMQKHGEDPFCPFSIISNAVSNIICSLCFGQRFDYTNSEFKKMLGFMSRGLEICLNSQVLLVNICPWLYYLPFGPFKELRQIEKDITSFLKKIIKDHQESLDRENPQDFIDMYLLHMEEERKNNSNSSFDEEYLFYIIGDLFIAGTDTTTNSLLWCLLYMSLNPDVQEKVHEEIERVIGANRAPSLTDKAQMPYTEATIMEVQRLTVVVPLAIPHMTSENTVLQGYTIPKGTLILPNLWSVHRDPAIWEKPEDFYPNRFLDDQGQLIKKETFIPFGIGKRVCMGEQLAKMELFLMFVSLMQSFAFALPEDSKKPLLTGRFGLTLAPHPFNITISRR

AF-Q7Z449-F1

Identifier	Resolution	Method	Chain	Positions	Source
None	Predicted	None	1-544	AlphaFold DB

Metabolism R-HSA-1430728
Disease R-HSA-1643685
Biological oxidations R-HSA-211859
Cytochrome P450 - arranged by substrate type R-HSA-211897
Phase I - Functionalization of compounds R-HSA-211945
Miscellaneous substrates R-HSA-211958
Arachidonate metabolism R-HSA-2142753
Synthesis of (16-20)-hydroxyeicosatetraenoic acids (HETE) R-HSA-2142816
Metabolism of lipids R-HSA-556833
Defective CYP2U1 causes SPG56 R-HSA-5579011
Metabolic disorders of biological oxidation enzymes R-HSA-5579029
Diseases of metabolism R-HSA-5668914
Fatty acid metabolism R-HSA-8978868


Expression Atlas	ENSG00000155016
GeneCards	20582
HGNC Symbol	HGNC:20582
MIM gene	610670
MIM morbid	615030
NCBI gene (formerly Entrezgene)	113612
UniProtKB Gene Name	Q7Z449
UniProtKB Gene Name	Q7Z449
WikiGene	113612

Cytochrome P450 2C19

Ensembl ID : ENSG00000165841
Gene: CYP2C19
UniProtKB Entry: P33261

	Assay description	Assay tissue	Bioactivities
ACETAMINOPHEN	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
CANNABIDIOL	Mixed type inhibition of human recombinant CYP2C19 using (S)-mephenytoin as substrate preincubated for 5 mins followed by NADPH-generating system addition measured after 40 mins by Lineweaver-Burk plot analysis	—	Ki = 790.0 nM
CARBAMAZEPINE	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
CELECOXIB	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
CLOZAPINE	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
DICLOFENAC	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
DOLUTEGRAVIR	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate at 100 uM preincubated for 20 mins with substrate prior to initiation of reaction with NADPH by HPLC analysis	Liver	Inhibition = 20.0 %
ERYTHROMYCIN	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
ETHINYL ESTRADIOL	Time dependent inhibition of CYP2C19 in human liver microsomes at 10 uM by LC/MS system	Liver	Inhibition < 10.0 %
FLUTAMIDE	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
FUROSEMIDE	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
LANSOPRAZOLE	Inhibition of human CYP2C19 at 10 uM	—	Inhibition = 86.0 %
LEVOFLOXACIN	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
MEPHENYTOIN	Inhibition of human CYP2C19 at 10 uM	—	Inhibition = 96.83 %
MICONAZOLE	Inhibition of recombinant human CYP2C19 preincubated at 10 uM for 5 mins before fluorescent substrate addition by fluorescence assay	—	Inhibition = 8.6 %
MILTEFOSINE	Inhibition of human microsomal CYP2C19 expressed in baculovirus infected insect cells at 10 uM using luciferin-H EGE as substrate preincubated with enzyme/substrate mixture for 30 mins followed by further incubation with NADPH for 30 mins by CYP450 luciferase Glo assay relative to control	—	Inhibition = 7.9 %
OLANZAPINE	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
OMEPRAZOLE	Inhibition of CYP2C19 (unknown origin) at 24 uM by luminescent readout-based method	—	Inhibition = 93.4 %
OMEPRAZOLE	Inhibition of CYP2C19 (unknown origin) at 24 uM by P450-glo assay	—	Inhibition = 93.4 %
PHENYTOIN	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
RILPIVIRINE	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin substrate incubated for 10 mins in presence of NADPH	Liver	IC50 = 335.0 nM
RILPIVIRINE	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysis	Liver	IC50 = 335.0 nM
RILPIVIRINE	Inhibition of human CYP2C19 using S-mephenytoin as substrate in presence of NADPH incubated for 15 to 45 mins	—	IC50 = 335.0 nM
RITONAVIR	Time dependent inhibition of CYP2C19 in human liver microsomes at 10 uM by LC/MS system	Liver	Inhibition < 10.0 %
SULFAMETHOXAZOLE	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
TROGLITAZONE	Inhibition of recombinant human CYP2C19 expressed in insect cell microsomes at 10 uM using Luciferin-H EGE as substrate preincubated for 20 mins followed by NADPH addition measured after 30 mins by luminometric method	—	Inhibition = 84.0 %
VALPROIC ACID	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
VALSARTAN	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
VORINOSTAT	Percent inhibition of CYP450 2C19 at 1 uM concentration	—	Inhibition = 14.0 %
VORINOSTAT	Inhibition of human CYP2C19 using 3-cyano-7-ethoxycoumarin as substrate at 10 uM after 30 mins by fluorimetric analysis	—	Inhibition = 69.0 %
ZAFIRLUKAST	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
ALISKIREN	Inhibition of CYP2C19 in human liver microsomes from 10 healthy donors at 200 uM aliskiren (SPP100)	Liver	Inhibition = 42.5 %
ALISKIREN	Inhibitory activity of 20 uM SPP100 on 1174 Pmoles of cDNA-derived CYP2C19 enzyme in microsome prepared from human lymphoblastoid cell line	—	Inhibition = -1.5 %
ALISKIREN	Inhibitory activity of 20 uM SPP100 on 1131 Pmoles of cDNA-derived CYP2C19 enzyme in microsome prepared from human lymphoblastoid cell line	—	Inhibition = 5.1 %
ALISKIREN	Inhibitory activity of 20 uM SPP100 on 1214 Pmoles of cDNA-derived CYP2C19 enzyme in microsome prepared from human lymphoblastoid cell line	—	Inhibition = -1.9 %
ALISKIREN	Inhibitory activity of 200 uM SPP100 on 1375 Pmoles of cDNA-derived CYP2C19 enzyme in microsome prepared from human lymphoblastoid cell line	—	Inhibition = -15.4 %
ALISKIREN	Inhibitory activity of 200 uM SPP100 on 1156 Pmoles of cDNA-derived CYP2C19 enzyme in microsome prepared from human lymphoblastoid cell line	—	Inhibition = 3.0 %
ALISKIREN	Inhibitory activity of 200 uM SPP100 on 1077 Pmoles of cDNA-derived CYP2C19 enzyme in microsome prepared from human lymphoblastoid cell line	—	Inhibition = 9.6 %
AMIODARONE	Inhibition of CYP2C19-mediated S-mephenytoin metabolite formation in human liver microsomes at 5 uM after 8 mins by LC-MS/MS analysis relative to control	Liver	Inhibition = 28.6 %
AMLODIPINE	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
AMODIAQUINE	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
ATORVASTATIN	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
BATEFENTEROL	Inhibition of CYP2C19 (unknown origin) at 600 nM	—	Inhibition < 20.0 %
BENZBROMARONE	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
CAFFEINE	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
DONEPEZIL	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
FLUOXETINE	Time dependent inhibition of CYP2C19 in human liver microsomes at 30 uM by LC/MS system	Liver	Inhibition = 36.0 %
FLUOXETINE	Inhibition of CYP2C19 (unknown origin) using luciferin tagged substrate preincubated for 10 mins before substrate addition	—	IC50 = 40.0 nM
FLUOXETINE	Inhibition of CYP2C19 (unknown origin)	—	IC50 = 65.0 nM
NALMEFENE	Inhibition of human CYP2C19 at 10 uM	—	Inhibition = 17.0 %
NICARDIPINE	Inhibition of CYP2C19 in human liver microsomes using omeprazole substrate by LC-MS/MS method	Liver	IC50 = 560.0 nM
OLMESARTAN	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
PRAVASTATIN	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
PROCAINAMIDE	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
PROPRANOLOL	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
ROSIGLITAZONE	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
TALAZOPARIB	Inhibition of CYP2C19 (unknown origin) at 10 uM	—	Inhibition < 12.0 %
TAMOXIFEN	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
TICLOPIDINE	Time dependent inhibition of CYP2C19 in human liver microsomes at 10 uM by LC/MS system	Liver	Inhibition = 60.0 %
TICLOPIDINE	Inhibition of human CYP2C19 at 10 uM preincubated for 10 mins with cofactor followed by mixture of enzyme-substrate addition by fluorescence assay relative to control	—	Inhibition = 104.4 %
TICLOPIDINE	Inhibition of CYP2C19 in human liver microsomes using smephenytoin as substrate at 10 uM preincubated for 5 mins followed by NADPH addition measured after 20 mins by LC-MS/MS analysis relative to control	Liver	Inhibition = 89.0 %
TICLOPIDINE	Inhibition of human CYP2C19 in human liver microsomes at at 50 times IC50 concentration relative to control	Liver	Inhibition = 98.7 %
TICLOPIDINE	Inhibition of CYP2C19 in human liver microsomes at 10 uM using mephenytoin as substrate preincubated for 5 mins followed by NADPH addition and measured after 20 mins by LC-MS/MS analysis relative to control	Liver	Inhibition = 88.0 %
TICLOPIDINE	Inhibition of CYP2C19 in human liver Microsome using S-mephenytoin as substrate preincubated for 10 mins followed by NADPH addition and further incubated for 10 mins as substrate by LC-MS/MS analysis relative to control	Liver	Inhibition = 81.5 %
TICLOPIDINE	Inhibition of CYP2C19 (unknown origin) at 3 uM using S-mephenytoin as substrate relative to control	—	Inhibition = 67.0 %
TRANYLCYPROMINE	Inhibitory activity of 100 uM tranylcypromine on 49 Pmoles of cDNA-derived CYP2C19 enzyme in microsome prepared from human lymphoblastoid cell line	—	Inhibition = 96.0 %
TRANYLCYPROMINE	Inhibitory activity of 100 uM tranylcypromine on 15 Pmoles of cDNA-derived CYP2C19 enzyme in microsome prepared from human lymphoblastoid cell line	—	Inhibition = 99.0 %
TRANYLCYPROMINE	Inhibitory activity of 100 uM tranylcypromine on 34 Pmoles of cDNA-derived CYP2C19 enzyme in microsome prepared from human lymphoblastoid cell line	—	Inhibition = 97.0 %
VERAPAMIL	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
WARFARIN	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
IMIPRAMINE	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
ABIRATERONE	Inhibition of human hepatic CYP2C19 at 1 uM relative to control	—	Inhibition = 39.6 %
ABIRATERONE	Inhibition of human hepatic CYP2C19 at 10 uM relative to control	—	Inhibition = 91.6 %
CHLOROQUINE	Inhibition of CYP2C19 in human liver microsomes assessed as metabolite produced at 1 uM by LC-MS/MS analysis relative to control	Liver	Inhibition = 113.0 %
CHLOROQUINE	Inhibition of CYP2C19 in human liver microsomes assessed as metabolite produced at 10 uM by LC-MS/MS analysis relative to control	Liver	Inhibition = 111.0 %
CLOPIDOGREL	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition = 10.0 %
PIOGLITAZONE	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
ZOMEPIRAC	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
DORAMAPIMOD	Inhibition of CYP2C19 (unknown origin) at 30 uM	—	Inhibition = 35.0 %
AMINOPYRINE	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
PF-00562271	Inhibition of CYP2C19 (unknown origin) at 10 uM relative to control	—	Inhibition = 843.0 %
CHS-828	Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate in presence of NADPH by LC-MS/MS analysis	Liver	IC50 = 630.0 nM
ADL-5747	Inhibition of human CYP2C19 at 10 uM	—	Inhibition = 12.8 %
ASTEMIZOLE	Inhibition of CYP2C19-mediated S-mephenytoin metabolite formation in human liver microsomes at 0.3 uM after 8 mins by LC-MS/MS analysis relative to control	Liver	Inhibition = 6.0 %
TACRINE	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
BERGAPTEN	Inhibition of recombinant human CYP2C19 expressed in baker's yeast-derived microsomes (Sacchrosomes) at 10 uM using 3-cyano-7-ethoxycoumarin substrate by EROD assay relative to control	—	Inhibition = 5.0 %
TICRYNAFEN	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition = 35.0 %
BEPRIDIL	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 8 mins by LC-MS/MS analysis	Liver	IC50 < 100.0 nM
AZD-3759	Inhibition of CYP2C19 (unknown origin)	—	IC50 > 50.0 nM
VACTOSERTIB	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate at 10 uM incubated for 5 mins prior to substrate addition measured after 10 mins by LC/MS/MS analysis	Liver	Inhibition = 30.7 %
INDOMETHACIN	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition < 10.0 %
PLUMBAGIN	Inhibition of recombinant human CYP2C19 expressed in baker's yeast-derived microsomes (Sacchrosomes) at 10 uM using 3-cyano-7-ethoxycoumarin substrate by EROD assay relative to control	—	Inhibition = 12.0 %
MAVORIXAFOR	Inhibition of human CYP2C19 at 1 uM	—	Inhibition = 20.0 %
EXEMESTANE	Drug metabolism assessed as human recombinant CYP2C19-mediated 17-hydroexemestane and 6-Hydroxymethylexemestane formation assessed as inhibition of metabolite formation at 10 uM after 10 mins by Michaelis-Menten saturation curve analysis in presence of 5 uM ticlopidine	—	Inhibition < 20.0 %
NEVIRAPINE	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	Liver	Inhibition = 12.0 %
OLVEREMBATINIB	Inhibition of human recombinant CYP2C19 after 30 mins	—	IC50 = 990.0 nM
ALDUMASTAT	Inhibition of CYP1C19 (unknown origin) at 10 uM	—	Inhibition < 50.0 %

>ENSG00000165841|Cytochrome P450 2C19
MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV

Identifier	Resolution	Method	Chain	Positions	Source
4GQS	2.87 Å	X-ray	A/B/C/D	23-489	PDB

Metabolism R-HSA-1430728
Biological oxidations R-HSA-211859
Cytochrome P450 - arranged by substrate type R-HSA-211897
Phase I - Functionalization of compounds R-HSA-211945
Xenobiotics R-HSA-211981
CYP2E1 reactions R-HSA-211999
Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET) R-HSA-2142670
Arachidonate metabolism R-HSA-2142753
Synthesis of (16-20)-hydroxyeicosatetraenoic acids (HETE) R-HSA-2142816
Metabolism of lipids R-HSA-556833
Fatty acid metabolism R-HSA-8978868
Drug ADME R-HSA-9748784
Aspirin ADME R-HSA-9749641


Expression Atlas	ENSG00000165841
GeneCards	2621
HGNC Symbol	HGNC:2621
LRG display in Ensembl gene	LRG_584
MIM gene	124020
MIM morbid	609535
NCBI gene (formerly Entrezgene)	1557
UniProtKB Gene Name	P33261
UniProtKB Gene Name	P33261
WikiGene	1557

Cytochrome P450 2R1

Ensembl ID : ENSG00000186104
Gene: CYP2R1
UniProtKB Entry: Q6VVX0

No data availalbe!

>ENSG00000186104|Cytochrome P450 2R1
MWKLWRAEEGAAALGGALFLLLFALGVRQLLKQRRPMGFPPGPPGLPFIGNIYSLAASSELPHVYMRKQSQVYGEIFSDLGGISTVVLNGYDVVKECLVHQSEIFADRPCLPLFMKMTKMGGLLNSRYGRGWVDHRRLAVNSFRYFGYGQKSFESKILEEETKFFNDAIETYKGRPFDFKQLITNAVSNITNLIIFGERFTYEDTDFQHMIELFSENVELAASASVFLYNAFWIGILPFGKHQQLFRNAAVVYDFLSRLIEKASVNRKPQLPQHFVDAYLDEMDQGKNDPSSTFSKENLIFSVGELIIAGTETTTNVLRWAILFMALYPNIQGQVQKEIDLIMGPNGGPSWDDKCKMPYTEAVLHEVLRFCNIVPLGIFHATSEDAVVRGYSIPKGTTVITNLYSVHFDEKYWRDPEVFHPERFLDSSGYFAKKEALVPFSLGRRHCLGEHLARMEMFLFFTALLQRFHLHFPHELVPDLKPRLGMTLQPQPYLICAERR

Identifier	Resolution	Method	Chain	Positions	Source
3CZH	2.30 Å	X-ray	A/B	32-501	PDB
3DL9	2.72 Å	X-ray	A/B	32-501	PDB
3C6G	2.80 Å	X-ray	A/B	32-501	PDB

Metabolism R-HSA-1430728
Disease R-HSA-1643685
Vitamin D (calciferol) metabolism R-HSA-196791
Biological oxidations R-HSA-211859
Cytochrome P450 - arranged by substrate type R-HSA-211897
Vitamins R-HSA-211916
Phase I - Functionalization of compounds R-HSA-211945
Metabolism of lipids R-HSA-556833
Defective CYP27B1 causes VDDR1B R-HSA-5579027
Metabolic disorders of biological oxidation enzymes R-HSA-5579029
Diseases of metabolism R-HSA-5668914
Metabolism of steroids R-HSA-8957322


Expression Atlas	ENSG00000186104
GeneCards	20580
HGNC Symbol	HGNC:20580
MIM gene	608713
MIM morbid	600081
NCBI gene (formerly Entrezgene)	120227
UniProtKB Gene Name	Q6VVX0
UniProtKB Gene Name	Q6VVX0
UniProtKB Gene Name	Q6VVX0
WikiGene	120227

Cytochrome P450 2F1

Ensembl ID : ENSG00000197446
Gene: CYP2F1
UniProtKB Entry: P24903

No data availalbe!

>ENSG00000197446|Cytochrome P450 2F1
MDSISTAILLLLLALVCLLLTLSSRDKGKLPPGPRPLSILGNLLLLCSQDMLTSLTKLSKEYGSMYTVHLGPRRVVVLSGYQAVKEALVDQGEEFSGRGDYPAFFNFTKGNGIAFSSGDRWKVLRQFSIQILRNFGMGKRSIEERILEEGSFLLAELRKTEGEPFDPTFVLSRSVSNIICSVLFGSRFDYDDERLLTIIRLINDNFQIMSSPWGELYDIFPSLLDWVPGPHQRIFQNFKCLRDLIAHSVHDHQASLDPRSPRDFIQCFLTKMAEEKEDPLSHFHMDTLLMTTHNLLFGGTKTVSTTLHHAFLALMKYPKVQARVQEEIDLVVGRARLPALKDRAAMPYTDAVIHEVQRFADIIPMNLPHRVTRDTAFRGFLIPKGTDVITLLNTVHYDPSQFLTPQEFNPEHFLDANQSFKKSPAFMPFSAGRRLCLGESLARMELFLYLTAILQSFSLQPLGAPEDIDLTPLSSGLGNLPRPFQLCLRPR

AF-P24903-F1

Identifier	Resolution	Method	Chain	Positions	Source
None	Predicted	None	1-491	AlphaFold DB


Expression Atlas	ENSG00000197446
GeneCards	2632
HGNC Symbol	HGNC:2632
MIM gene	124070
NCBI gene (formerly Entrezgene)	1572
UniProtKB Gene Name	P24903
UniProtKB Gene Name	P24903
WikiGene	1572

Cytochrome P450 2W1

Ensembl ID : ENSG00000073067
Gene: CYP2W1
UniProtKB Entry: Q8TAV3

No data availalbe!

>ENSG00000073067|Cytochrome P450 2W1
MALLLLLFLGLLGLWGLLCACAQDPSPAARWPPGPRPLPLVGNLHLLRLSQQDRSLMELSERYGPVFTVHLGRQKTVVLTGFEAVKEALAGPGQELADRPPIAIFQLIQRGGGIFFSSGARWRAARQFTVRALHSLGVGREPVADKILQELKCLSGQLDGYRGRPFPLALLGWAPSNITFALLFGRRFDYRDPVFVSLLGLIDEVMVLLGSPGLQLFNVYPWLGALLQLHRPVLRKIEEVRAILRTLLEARRPHVCPGDPVCSYVDALIQQGQGDDPEGLFAEANAVACTLDMVMAGTETTSATLQWAALLMGRHPDVQGRVQEELDRVLGPGRTPRLEDQQALPYTSAVLHEVQRFITLLPHVPRCTAADTQLGGFLLPKGTPVIPLLTSVLLDETQWQTPGQFNPGHFLDANGHFVKREAFLPFSAGRRVCVGERLARTELFLLFAGLLQRYRLLPPPGVSPASLDTTPARAFTMRPRAQALCAVPRP

No data available!


Expression Atlas	ENSG00000073067
GeneCards	20243
HGNC Symbol	HGNC:20243
MIM gene	615967
NCBI gene (formerly Entrezgene)	54905
UniProtKB Gene Name	Q8TAV3
UniProtKB Gene Name	Q8TAV3
UniProtKB Gene Name	Q8TAV3
WikiGene	54905

Cytochrome P450 2A13

Ensembl ID : ENSG00000197838
Gene: CYP2A13
UniProtKB Entry: Q16696

	Assay organism	Assay description	Assay tissue	Bioactivities	Reference
METHOXSALEN		Mixed inhibition of CYP2A13 (unknown origin)	—	Ki = 40.0 nM

>ENSG00000197838|Cytochrome P450 2A13
MLASGLLLVTLLACLTVMVLMSVWRQRKSRGKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIHLGPRRVVVLCGHDAVKEALVDQAEEFSGRGEQATFDWLFKGYGVAFSNGERAKQLRRFSIATLRGFGVGKRGIEERIQEEAGFLIDALRGTHGANIDPTFFLSRTVSNVISSIVFGDRFDYEDKEFLSLLRMMLGSFQFTATSTGQLYEMFSSVMKHLPGPQQQAFKELQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFLIRMQEEEKNPNTEFYLKNLVMTTLNLFFAGTETVSTTLRYGFLLLMKHPEVEAKVHEEIDRVIGKNRQPKFEDRAKMPYTEAVIHEIQRFGDMLPMGLAHRVNKDTKFRDFFLPKGTEVFPMLGSVLRDPRFFSNPRDFNPQHFLDKKGQFKKSDAFVPFSIGKRYCFGEGLARMELFLFFTTIMQNFRFKSPQSPKDIDVSPKHVGFATIPRNYTMSFLPR

Identifier	Resolution	Method	Chain	Positions	Source
2PG5	1.95 Å	X-ray	A/B/C/D	31-494	PDB
4EJI	2.10 Å	X-ray	A	31-494	PDB
2P85	2.35 Å	X-ray	A/B/C/D/E/F	26-494	PDB
4EJH	2.35 Å	X-ray	A/B/C/D/E/F/G/H	31-494	PDB
4EJG	2.50 Å	X-ray	A/B/C/D/E/F/G/H	31-494	PDB
2PG6	2.53 Å	X-ray	A/B/C/D	31-494	PDB
2PG7	2.80 Å	X-ray	A/B/C/D	31-494	PDB
3T3S	3.00 Å	X-ray	A/B/C/D/E/F/G/H	31-494	PDB


Expression Atlas	ENSG00000197838
GeneCards	2608
HGNC Symbol	HGNC:2608
MIM gene	608055
NCBI gene (formerly Entrezgene)	1553
UniProtKB Gene Name	Q16696
WikiGene	1553

Cytochrome P450 2A7

Ensembl ID : ENSG00000198077
Gene: CYP2A7
UniProtKB Entry: P20853

No data availalbe!

>ENSG00000198077|Cytochrome P450 2A7
MLASGLLLVALLACLTVMVLMSVWQQRKSRGKLPPGPTPLPFIGNYLQLNTEHICDSIMKFSECYGPVFTIHLGPRRVVVLCGHDAVREALVDQAEEFSGRGEQATFDWVFKGYGVAFSNGERAKQLLRFAIATLRDFGVGKRGIEERIQEESGFLIEAIRSTHGANIDPTFFLSRTVSNVISSIVFGDRFDYEDKEFLSLLSMMLGIFQFTSTSTGQLYEMFSSVMKHLPGPQQQAFKLLQGLEDFIAKKVEHNQRTLDPNSPQDFIDSFLIHMQEEEKNPNTEFYLKNLMMSTLNLFIAGTETVSTTLRYGFLLLMKHPEVEAKVHEEIDRVIGKNRQPKFEDRTKMPYMEAVIHEIQRFGDVIPMSLARRVKKDTKFRDFFLPKGTEVFPMLGSVLRDPSFFSNPQDFNPQHFLDDKGQFKKSDAFVPFSIGKRNCFGEGLARMELFLFFTTVMQNFRLKSSQSPKDIDVSPKHVVFATIPRNYTMSFLPR

AF-P20853-F1

Identifier	Resolution	Method	Chain	Positions	Source
None	Predicted	None	1-494	AlphaFold DB


Expression Atlas	ENSG00000198077
GeneCards	2611
HGNC Symbol	HGNC:2611
MIM gene	608054
NCBI gene (formerly Entrezgene)	1549
UniProtKB Gene Name	P20853
UniProtKB Gene Name	P20853
UniProtKB Gene Name	P20853
WikiGene	1549

Cytochrome P450 2A6

Ensembl ID : ENSG00000255974
Gene: CYP2A6
UniProtKB Entry: P11509

	Assay description	Assay tissue	Bioactivities
METHOXSALEN	Mechanism based inhibition of human cytochrome P450 2A6 measured by coumarin 7-hydroxylation using a recombinant system	—	Ki = 800.0 nM
METHOXSALEN	Mixed inhibition of CYP2A6 (unknown origin)	—	Ki = 250.0 nM
VORICONAZOLE	Inhibition of CYP2A6 in human liver microsomes assessed as coumarin 7-hydroxylation at 100 uM after 15 mins	Liver	Inhibition = 25.0 %
ALISKIREN	Inhibitory activity of 20 uM SPP100 on 39 Pmoles of cDNA-derived CYP2A6 enzyme in microsome prepared from human lymphoblastoid cell line	—	Inhibition = -2.1 %
ALISKIREN	Inhibitory activity of 20 uM SPP100 on 37 Pmoles of cDNA-derived CYP2A6 enzyme in microsome prepared from human lymphoblastoid cell line	—	Inhibition = 2.6 %
ALISKIREN	Inhibitory activity of 20 uM SPP100 on 37 Pmoles of cDNA-derived CYP2A6 enzyme in microsome prepared from human lymphoblastoid cell line	—	Inhibition = 2.6 %
ALISKIREN	Inhibitory activity of 200 uM SPP100 on 37 Pmoles of cDNA-derived CYP2A6 enzyme in microsome prepared from human lymphoblastoid cell line	—	Inhibition = 2.6 %
ALISKIREN	Inhibitory activity of 200 uM SPP100 on 37 Pmoles of cDNA-derived CYP2A6 enzyme in microsome prepared from human lymphoblastoid cell line	—	Inhibition = 2.6 %
ALISKIREN	Inhibitory activity of 200 uM SPP100 on 34 Pmoles of cDNA-derived CYP2A6 enzyme in microsome prepared from human lymphoblastoid cell line	—	Inhibition = 10.5 %
PSORALEN	Mechanism based inhibition of human cytochrome P450 2A6 measured by coumarin 7-hydroxylation	—	Ki = 600.0 nM
TRANYLCYPROMINE	Inhibitory activity of 100 uM tranylcypromine on 1.2 Pmoles of cDNA-derived CYP2A6 enzyme in microsome prepared from human lymphoblastoid cell line	—	Inhibition = 97.0 %
TRANYLCYPROMINE	Inhibitory activity of 100 uM tranylcypromine on 0.6 Pmoles of cDNA-derived CYP2A6 enzyme in microsome prepared from human lymphoblastoid cell line	—	Inhibition = 98.0 %
TRANYLCYPROMINE	Inhibitory activity of 100 uM tranylcypromine on 0.3 Pmoles of cDNA-derived CYP2A6 enzyme in microsome prepared from human lymphoblastoid cell line	—	Inhibition = 99.0 %
TRANYLCYPROMINE	Mixed inhibition of CYP2A6 (unknown origin)	—	Ki = 130.0 nM
COUMARIN	Inhibition of human CYP2A6 at 10 uM	—	Inhibition = 98.19 %

>ENSG00000255974|Cytochrome P450 2A6
MLASGMLLVALLVCLTVMVLMSVWQQRKSKGKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIHLGPRRVVVLCGHDAVREALVDQAEEFSGRGEQATFDWVFKGYGVVFSNGERAKQLRRFSIATLRDFGVGKRGIEERIQEEAGFLIDALRGTGGANIDPTFFLSRTVSNVISSIVFGDRFDYKDKEFLSLLRMMLGIFQFTSTSTGQLYEMFSSVMKHLPGPQQQAFQLLQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFLIRMQEEEKNPNTEFYLKNLVMTTLNLFIGGTETVSTTLRYGFLLLMKHPEVEAKVHEEIDRVIGKNRQPKFEDRAKMPYMEAVIHEIQRFGDVIPMSLARRVKKDTKFRDFFLPKGTEVYPMLGSVLRDPSFFSNPQDFNPQHFLNEKGQFKKSDAFVPFSIGKRNCFGEGLARMELFLFFTTVMQNFRLKSSQSPKDIDVSPKHVGFATIPRNYTMSFLPR

Identifier	Resolution	Method	Chain	Positions	Source
2FDV	1.65 Å	X-ray	A/B/C/D	29-494	PDB
2FDU	1.85 Å	X-ray	A/B/C/D	29-494	PDB
1Z10	1.90 Å	X-ray	A/B/C/D	29-494	PDB
2FDY	1.95 Å	X-ray	A/B/C/D	29-494	PDB
2FDW	2.05 Å	X-ray	A/B/C/D	29-494	PDB
1Z11	2.05 Å	X-ray	A/B/C/D	29-494	PDB
3T3Q	2.10 Å	X-ray	A/B/C/D	29-494	PDB
3EBS	2.15 Å	X-ray	A/B/C/D	29-494	PDB
4EJJ	2.30 Å	X-ray	A/B/C/D	29-494	PDB
3T3R	2.40 Å	X-ray	A/B/C/D	29-494	PDB
4RUI	2.61 Å	X-ray	A/B/C/D/E/F	29-494	PDB


Expression Atlas	ENSG00000255974
GeneCards	2610
HGNC Symbol	HGNC:2610
MIM gene	122720
MIM morbid	211980
MIM morbid	211980
MIM morbid	211980
MIM morbid	211980
NCBI gene (formerly Entrezgene)	1548
UniProtKB Gene Name	P11509
UniProtKB Gene Name	P11509
WikiGene	1548

Cytochrome P450 2B6

Ensembl ID : ENSG00000197408
Gene: CYP2B6
UniProtKB Entry: P20813

	Assay description	Assay tissue	Bioactivities
ACETAMINOPHEN	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
CANNABIDIOL	Mixed type inhibition of human recombinant CYP2B6 expressed in baculovirus-infected insect cells using coumarin as substrate preincubated for 5 mins followed by NADPH-generating system addition by Lineweaver-Burk plot analysis	—	Ki = 690.0 nM
CARBAMAZEPINE	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
CELECOXIB	Time dependent inhibition of CYP2B6 (unknown origin) at 30 uM by LC/MS system	—	Inhibition < 10.0 %
CLOZAPINE	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
DICLOFENAC	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
DOLUTEGRAVIR	Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate at 100 uM preincubated for 20 mins with substrate prior to initiation of reaction with NADPH by HPLC analysis	Liver	Inhibition = 20.0 %
EFAVIRENZ	Inhibition of CYP2B6 (unknown origin) assessed as reduction in hydroxybupropion formation at 10 uM incubated for 10 mins by uHPLC-MS/MS method	—	Inhibition = 95.0 %
ERYTHROMYCIN	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
ETHINYL ESTRADIOL	Time dependent inhibition of CYP2B6 (unknown origin) at 30 uM by LC/MS system	—	Inhibition < 10.0 %
ETHINYL ESTRADIOL	Mechanism based inhibition of human cytochrome P450 2B6 measured by 7-EFC O-deethylation	—	Ki = 800.0 nM
ETHINYL ESTRADIOL	Mechanism based inhibition of human cytochrome P450 2B6 measured by 7-EFC O-deethylation	—	Ki = 900.0 nM
FLUTAMIDE	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
FUROSEMIDE	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
LEVOFLOXACIN	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
OLANZAPINE	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
PHENYTOIN	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
RITONAVIR	Time dependent inhibition of CYP2B6 (unknown origin) at 0.3 uM by LC/MS system	—	Inhibition < 10.0 %
SULFAMETHOXAZOLE	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
VALPROIC ACID	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
VALSARTAN	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
VORICONAZOLE	Inhibition of CYP2B6 in human liver microsomes assessed as 8-hydroxyefavirenz 14-hydroxylation after 10 mins	Liver	IC50 = 790.0 nM
VORICONAZOLE	Inhibition of CYP2B6 in human liver microsomes assessed as efavirenz 8-hydroxylation after 10 mins by Dixon plot analysis	Liver	Ki = 400.0 nM
VORICONAZOLE	Inhibition of CYP2B6 in human liver microsomes assessed as bupropion 4-hydroxylation after 15 mins by Dixon plot analysis	Liver	Ki = 340.0 nM
ZAFIRLUKAST	Time dependent inhibition of CYP2B6 (unknown origin) at 10 uM by LC/MS system	—	Inhibition < 10.0 %
AMLODIPINE	Time dependent inhibition of CYP2B6 (unknown origin) at 3 uM by LC/MS system	—	Inhibition < 10.0 %
AMODIAQUINE	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
ATORVASTATIN	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
BENZBROMARONE	Time dependent inhibition of CYP2B6 (unknown origin) at 10 uM by LC/MS system	—	Inhibition < 10.0 %
CAFFEINE	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
DONEPEZIL	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
FLUOXETINE	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
METHADONE	Inactivation of C-terminal His4-tagged human CYP2B6 lacking 21 N-terminal residues assessed as decrease in enzyme catalytic activity at 100 uM for 15 mins by spectral analysis in presence of NADPH	—	Inhibition = 58.0 %
METHADONE	Inactivation of C-terminal His4-tagged human CYP2B6 lacking 21 N-terminal residues assessed as native heme loss at 50 uM at 37 degC for 20 mins by HPLC analysis in presence of NADPH	—	Inhibition = 75.0 %
METHADONE	Inactivation of C-terminal His4-tagged human CYP2B6 lacking 21 N-terminal residues assessed as decrease in CO difference spectrum at 100 uM for 15 mins by spectral analysis in presence of NADPH	—	Inhibition = 61.0 %
NALMEFENE	Inhibition of human CYP2B6 at 10 uM	—	Inhibition = 5.0 %
OLMESARTAN	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
PRAVASTATIN	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
PROCAINAMIDE	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
PROPRANOLOL	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
ROSIGLITAZONE	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
TAMOXIFEN	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
TAMOXIFEN	Mechanism based inhibition of human cytochrome P450 2B6 measured by 7-EFC O-deethylation	—	Ki = 900.0 nM
TICLOPIDINE	Time dependent inhibition of CYP2B6 (unknown origin) at 0.1 uM by LC/MS system	—	Inhibition = 35.0 %
TICLOPIDINE	Inhibition of CYP2B6 in human liver microsomes at 10 uM incubated for 5 mins followed by NADPH addition by LC-MS/MS analysis relative to control	Liver	Inhibition = 98.0 %
TICLOPIDINE	Mechanism based inhibition of human cytochrome P450 2B6 measured by bupropion hydroxylation using human liver microsomes	Liver	Ki = 200.0 nM
TICLOPIDINE	Mechanism based inhibition of human cytochrome P450 2B6 measured by bupropion hydroxylation using recombinant CYP2B6	—	Ki = 800.0 nM
TICLOPIDINE	Inhibition of recombinant human CYP2B6 by P450-Glo luminescence assay	—	IC50 = 600.0 nM
VERAPAMIL	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition = 10.0 %
WARFARIN	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
ARTEMISININ	Time-dependent inhibition of CYP2B6 in human liver microsomes	Liver	Inhibition < 10.0 %
ARTEMISININ	Induction of CYP2B6 in human hepatocytes after 72 hrs relative to vehicle-treated control	—	EC50 = 600.0 nM
IMIPRAMINE	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
CHLOROQUINE	Inhibition of CYP2B6 in human liver microsomes assessed as metabolite produced at 1 uM by LC-MS/MS analysis relative to control	Liver	Inhibition = 112.0 %
CHLOROQUINE	Inhibition of CYP2B6 in human liver microsomes assessed as metabolite produced at 10 uM by LC-MS/MS analysis relative to control	Liver	Inhibition = 134.0 %
CLOPIDOGREL	Time dependent inhibition of CYP2B6 (unknown origin) at 0.3 uM by LC/MS system	—	Inhibition = 44.0 %
CLOPIDOGREL	Mechanism based inhibition of human cytochrome P450 2B6 using human liver microsomes	Liver	Ki = 500.0 nM
CLOPIDOGREL	Time dependent inhibition of CYP2B6 in human liver microsomes	Liver	Ki = 500.0 nM
PIOGLITAZONE	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition = 38.0 %
ZOMEPIRAC	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
AMINOPYRINE	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
TACRINE	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
TICRYNAFEN	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
AZD-3759	Inhibition of CYP2B6 (unknown origin)	—	IC50 > 50.0 nM
INDOMETHACIN	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
EXEMESTANE	Drug metabolism assessed as human recombinant CYP2B6-mediated 17-hydroexemestane and 6-Hydroxymethylexemestane formation assessed as inhibition of metabolite formation at 10 uM after 10 mins by Michaelis-Menten saturation curve analysis in presence of 5 uM thioTEPA	—	Inhibition < 20.0 %
EXEMESTANE	Drug metabolism assessed as human recombinant CYP2B6-mediated 17-hydroexemestane and 6-Hydroxymethylexemestane formation assessed as inhibition of metabolite formation at 10 uM after 10 mins by Michaelis-Menten saturation curve analysis in presence of 5 uM ticlopidine	—	Inhibition < 20.0 %
NEVIRAPINE	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
EMAVUSERTIB	Inhibition of CYP2B6 (unknown origin) at 1 uM relative to control	—	Inhibition < 5.0 %

>ENSG00000197408|Cytochrome P450 2B6
MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKIPPTYQIRFLPR

Identifier	Resolution	Method	Chain	Positions	Source
5UFG	1.76 Å	X-ray	A	20-491	PDB
5UDA	1.93 Å	X-ray	A/B	20-491	PDB
4I91	2.00 Å	X-ray	A	27-491	PDB
3IBD	2.00 Å	X-ray	A	30-491	PDB
5UAP	2.03 Å	X-ray	A/B	20-491	PDB
3QOA	2.10 Å	X-ray	A	27-491	PDB
4RQL	2.10 Å	X-ray	A/B	27-491	PDB
4RRT	2.20 Å	X-ray	A/B	27-491	PDB
4ZV8	2.24 Å	X-ray	A	30-491	PDB
5UEC	2.27 Å	X-ray	A	20-491	PDB
3UA5	2.80 Å	X-ray	A/B	27-491	PDB
3QU8	2.80 Å	X-ray	A/B/C/D/E/F	27-491	PDB
5WBG	2.99 Å	X-ray	A/B/C/D/E/F	20-491	PDB


Expression Atlas	ENSG00000197408
GeneCards	2615
HGNC Symbol	HGNC:2615
LRG display in Ensembl gene	LRG_1267
MIM gene	123930
MIM morbid	614546
NCBI gene (formerly Entrezgene)	1555
UniProtKB Gene Name	P20813
UniProtKB Gene Name	P20813
WikiGene	1555

Cytochrome P450 2D6

Ensembl ID : ENSG00000100197
Gene: CYP2D6
UniProtKB Entry: P10635

Title : Development of a pharmacophore for inhibition of human liver cytochrome P-450 2D6: molecular modeling and inhibition studies.
Authors : Strobl GR, von Kruedener S, Stöckigt J, Guengerich FP, Wolff T.
Publication Year : 1993
Journal : J. Med. Chem.
Abstract :
To gain insight into the specificity of cytochrome P-450 2D6 toward inhibitors, a preliminary pharmacophore model was built up using strong competitive inhibitors. Ajmalicine (1), the strongest inhibitor known (Ki = 3 nM) was selected as template because of its rigid structure. The preliminary pharmacophore model was validated by performing inhibition studies with derivatives of ajmalicine (1) and quinidine (9). Bufuralol (18) was chosen as substrate and the metabolite 1'-hydroxybufuralol (19) was separated by high performance liquid chromatography. All incubations were carried out using human liver microsomes after demonstration that the Ki values obtained with microsomes were in accordance with those obtained with a reconstituted monooxygenase system containing purified cytochrome P-450 2D6. Large differences of Ki values ranging between 0.005 and 100 microM were observed. Low-energy conformers of tested compounds were fit within the preliminary pharmacophore model. The analysis of steric and electronic properties of these compounds led to the definition of a final pharmacophore model. Characteristic properties are a positive charge on a nitrogen atom and a flat hydrophobic region, the plane of which is almost perpendicular to the N-H axis and maximally extends up to a distance of 7.5 A from the nitrogen atom. Compounds with high inhibitory potency had additional functional groups with negative molecular electrostatic potential and hydrogen bond acceptor properties on the opposite side at respective distances of 4.8-5.5 A and 6.6-7.5 A from the nitrogen atom. The superposition of strong and weak inhibitors led to the definition of an excluded volume map. Compounds that required additional space were not inhibitors. This is apparently the first pharmacophore model for inhibitors of a cytochrome P-450 enzyme and offers the opportunity to classify compounds according to their potency of inhibition. Adverse drug interactions which occur when both substrates and inhibitors of cytochrome P-450 2D6 are applied may be predicted.
DOI : 10.1021/jm00061a004

	Assay description	Assay tissue	Bioactivities
ACETAMINOPHEN	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
CARBAMAZEPINE	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
CELECOXIB	Time dependent inhibition of CYP2D6 (unknown origin) at 30 uM by LC/MS system	—	Inhibition < 10.0 %
CINACALCET HYDROCHLORIDE	Inhibition of recombinant human CYP2D6 expressed in bacterial membranes using AMMC as substrate preincubated for 10 mins followed by NADPH addition measured after 30 mins by fluorescence assay	—	IC50 < 100.0 nM
CLOTRIMAZOLE	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 8 mins by LC-MS/MS analysis	Liver	IC50 = 883.0 nM
CLOZAPINE	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
COLCHICINE	Inhibition of CYP2D6 (unknown origin) at 3 uM	—	Inhibition = 7.7 %
DICLOFENAC	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
DOLUTEGRAVIR	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate at 100 uM preincubated for 20 mins with substrate prior to initiation of reaction with NADPH by HPLC analysis	Liver	Inhibition = 20.0 %
ERYTHROMYCIN	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
ETHINYL ESTRADIOL	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
FLUTAMIDE	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
FUROSEMIDE	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
KETOCONAZOLE	Inhibition of CYP2D6 in human liver microsomes assessed as bufuralol hydroxylation to 4'-hydroxybufuralol at 1 uM after 10 mins relative to control	Liver	Inhibition = 4.0 %
LEVOFLOXACIN	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
MILTEFOSINE	Inhibition of human microsomal CYP2D6 expressed in baculovirus infected insect cells at 10 uM using luciferin-ME as substrate preincubated with enzyme/substrate mixture for 30 mins followed by further incubation with NADPH for 30 mins by CYP450 luciferase Glo assay relative to control	—	Inhibition = 30.8 %
MIRABEGRON	Inhibition of CYP2D6 (unknown origin) at 10 uM relative to control	—	Inhibition = 87.0 %
OLANZAPINE	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition = 63.0 %
PAROXETINE HYDROCHLORIDE	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 8 mins by LC-MS/MS analysis	Liver	IC50 = 960.0 nM
PERPHENAZINE	Inhibition of CYP2D6 in human liver microsomes using bufuralol substrate by LC-MS/MS method	Liver	IC50 = 120.0 nM
PHENYTOIN	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
QUINIDINE SULFATE	Inhibitory concentration against human hepatic cytochrome P450 2D6 enzyme	—	IC50 = 20.0 nM
QUINIDINE SULFATE	Inhibition of human CYP2D6 expressed in Escherichia coli JM109	—	IC50 = 20.0 nM
RITONAVIR	Time dependent inhibition of CYP2D6 (unknown origin) at 10 uM by LC/MS system	—	Inhibition < 10.0 %
SULFAMETHOXAZOLE	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
SULFAPHENAZOLE	Inhibition of CYP2D6 in human liver microsomes assessed as bufuralol hydroxylation to 4'-hydroxybufuralol at 10 uM after 10 mins relative to control	Liver	Inhibition = 7.0 %
VALPROIC ACID	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
VALSARTAN	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
VORICONAZOLE	Inhibition of CYP2D6 in human liver microsomes assessed as dextromethorphan O-demethylation at 100 uM after 30 mins	Liver	Inhibition = 25.0 %
VORINOSTAT	Percent inhibition of CYP450 2D6 at 1uM concentration	—	Inhibition = 8.0 %
VORINOSTAT	Inhibition of human CYP2D6 using 3-[2-(N,N-diethyl-N-methylamino)ethyl]-7-methoxy-4-methylcoumarin as substrate at 10 uM after 30 mins by fluorimetric analysis	—	Inhibition = 25.0 %
ZAFIRLUKAST	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
ALISKIREN	Inhibition of CYP2D6 in human liver microsomes from 10 healthy donors at 200 uM aliskiren (SPP100)	Liver	Inhibition = 32.9 %
ALISKIREN	Inhibitory activity of 200 gM SPP100 on cDNA-derived CYP2D6 enzyme in microsome prepared from human lymphoblastoid cell line	—	Inhibition = 37.0 %
AMIODARONE	Inhibition of CYP2D6-mediated dextromethorphan metabolite formation in human liver microsomes at 5 uM after 8 mins by LC-MS/MS analysis relative to control	Liver	Inhibition = 36.5 %
AMLODIPINE	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
AMLODIPINE	Time dependent inhibition of CYP2D6 (unknown origin) at 30 uM by LC/MS system	—	Inhibition < 10.0 %
AMODIAQUINE	Time dependent inhibition of CYP2D6 (unknown origin) at 10 uM by LC/MS system	—	Inhibition < 10.0 %
AMODIAQUINE	Inhibition of CYP2D6 in human liver microsomes using bufuralol substrate by LC-MS/MS method	Liver	IC50 = 640.0 nM
ATORVASTATIN	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
BATEFENTEROL	Inhibition of CYP2D6 (unknown origin) at 600 nM	—	Inhibition < 20.0 %
BENZBROMARONE	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
CAFFEINE	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
CPI-1205	Inhibition of CYP2D6 (unknown origin) at 10 uM relative to control	—	Inhibition = 9.5 %
DONEPEZIL	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition = 10.0 %
FASIGLIFAM	Inhibition of CYP2D6 in human liver microsomes at 5 uM using dextromethorphan as substrate by LC-MS/MS analysis relative to control	Liver	Inhibition = 23.22 %
FLUOXETINE	Inhibition of human recombinant CYP2D6 at 5 uM assessed as blockade of O-demethylation of dextromethorphan in to dextrophan by nanoscale automated in-capillary assay	—	Inhibition = 20.0 %
FLUOXETINE	Time dependent inhibition of CYP2D6 (unknown origin) at 10 uM by LC/MS system	—	Inhibition < 10.0 %
METOCLOPRAMIDE	Mechanism based inhibition of human cytochrome P450 2D6 measured by dextromethorphan O-demethylation	—	Ki = 960.0 nM
MIBEFRADIL	Inhibition of human recombinant CYP2D6-mediated 7-methoxy-4(aminomethyl)-coumarine degradation	—	IC50 = 63.0 nM
MIBEFRADIL	Inhibition of CYP2D6 in human liver microsomes using bufuralol substrate by LC-MS/MS method	Liver	IC50 = 840.0 nM
NALMEFENE	Inhibition of human CYP2D6 at 10 uM	—	Inhibition = 31.0 %
OLMESARTAN	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
PACRITINIB	Inhibition of CYP2D6 in human liver microsomes assessed as decrease in formation of dextrorphan from dextromethorphan substrate at 5 uM after 30 mins by LC-MS/MS	Liver	Inhibition = 20.0 %
PAROXETINE	Inhibition of human CYP2D6 at 10 uM preincubated for 10 mins with cofactor followed by mixture of enzyme-substrate addition by fluorescence assay relative to control	—	Inhibition = 96.5 %
PF-04995274	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate at 3 uM	Liver	Inhibition = 13.0 %
PF-05105679	Inhibition of CYP2D6 (unknown origin) at 3 uM	—	Inhibition = 0.0 %
PRAVASTATIN	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
PROCAINAMIDE	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
PROPAFENONE	Inhibition of CYP2D6 in human liver microsomes at 1 uM after 20 mins by LC-MS/MS analysis relative to control	Liver	Inhibition = 25.0 %
PROPAFENONE	Inhibition of CYP2D6 in human liver microsomes at 10 uM after 20 mins by LC-MS/MS analysis relative to control	Liver	Inhibition = 12.0 %
PROPRANOLOL	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
QUINIDINE	Inhibition of human recombinant CYP2D6 at 5 uM assessed as blockade of O-demethylation of dextromethorphan in to dextrophan by nanoscale automated in-capillary assay	—	Inhibition = 90.0 %
QUINIDINE	Inhibition of CYP2D6 in human liver microsomes assessed as bufuralol hydroxylation to 4'-hydroxybufuralol at 10 uM after 10 mins relative to control	Liver	Inhibition = 90.0 %
QUINIDINE	Inhibition of CYP2D6 (unknown origin) at 10 uM relative to control	—	Inhibition = 95.07 %
QUINIDINE	Inhibition of human CYP2D6 at 10 uM	—	Inhibition = 88.0 %
QUINIDINE	Inhibition of recombinant human CYP2D6 preincubated at 10 uM for 5 mins before fluorescent substrate addition by fluorescence assay	—	Inhibition = 21.2 %
QUINIDINE	Inhibition of CYP2D6 (unknown origin) at 1 uM by luminescent readout-based method	—	Inhibition = 96.25 %
QUINIDINE	Inhibition of CYP2D6 (unknown origin) at 1 uM by P450-glo assay	—	Inhibition = 96.25 %
QUINIDINE	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate at 10 uM preincubated for 5 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysis relative to control	Liver	Inhibition = 93.0 %
QUINIDINE	Inhibition of CYP2D6 in human liver microsomes at 2 uM using dextromethorphan as substrate by LC-MS/MS analysis relative to control	Liver	Inhibition = 93.28 %
QUINIDINE	Inhibition of recombinant human CYP2D6 expressed in insect cell microsomes at 1 uM using Luciferin-ME EGE as substrate preincubated for 30 mins followed by NADPH addition measured after 45 mins by luminometric method	—	Inhibition = 91.0 %
QUINIDINE	Inhibition of human CYP2D6 in human liver microsomes at 50 times IC50 concentration relative to control	Liver	Inhibition = 97.9 %
QUINIDINE	Inhibition of CYP2D6 in human liver microsomes at 10 uM using dextromethorphan as substrate preincubated for 5 mins followed by NADPH addition and measured after 20 mins by LC-MS/MS analysis relative to control	Liver	Inhibition = 89.0 %
QUINIDINE	Inhibition of CYP2D6 in human liver Microsome using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition and further incubated for 10 mins as substrate by LC-MS/MS analysis relative to control	Liver	Inhibition = 96.2 %
QUINIDINE	Inhibition of CYP2D6 (unknown origin) at 1 uM using dextromethorphan as substrate relative to control	—	Inhibition = 91.3 %
QUINIDINE	Inhibition of MAMC O-dealkylation mediated by human Cytochrome P450 2D6 expressed in human lymphoblastoid cell line	—	IC50 = 3.3 nM
QUINIDINE	Inhibition of 1'-hydroxybufuralol formation by human liver microsomes	Liver	Ki = 40.0 nM
QUINIDINE	Inhibitory effect on Bufuralol 1'-hydroxylation by human liver microsomes (Ki = apparent inhibition constant)	Liver	Ki = 80.0 nM
QUINIDINE	Inhibition of partially purified cytochrome P450 2D6 1'-hydroxybufuralol formation	—	Ki = 43.0 nM
QUINIDINE	Inhibitory constant for cytochrome P450 2D6	—	Ki = 60.0 nM
QUINIDINE	Inhibition of human CYP2D6	—	IC50 = 20.0 nM
QUINIDINE	Inhibition of CYP2D6 in human liver microsomes	Liver	IC50 = 410.0 nM
QUINIDINE	Inhibition of human CYP2D6	—	IC50 = 11.0 nM
QUINIDINE	Inhibition of human recombinant CYP2D6 expressed in insect microsomes	—	IC50 = 14.0 nM
QUINIDINE	Inhibition of human recombinant CYP2D6 expressed in baculovirus-infected insect microsomes	—	IC50 = 14.0 nM
QUINIDINE	Inhibition of human CYP2D6 expressed in baculovirus-infected insect cell system	—	IC50 = 19.6 nM
QUINIDINE	Inhibition of human CYP2D6 by Lineweaver-Burke plot	—	Ki = 9.8 nM
QUINIDINE	Inhibition of human liver microsome CYP2D6 in assessed as [14C]formaldehyde formation	Liver	IC50 = 82.0 nM
QUINIDINE	Inhibition of human CYP2D6 by radiometric assay	—	IC50 = 78.0 nM
QUINIDINE	Inhibition of human CYP2D6	—	IC50 = 10.0 nM
QUINIDINE	Inhibition of human CYP2D6 expressed in baculovirus-infected insect microsomes	—	IC50 = 14.0 nM
QUINIDINE	Inhibition of human recombinant microsomal CYP2D6 using {3-[2-(N,N-diethyl-N-methylamino)ethyl]-7-methoxy-4-methylcoumarin} as substrate assessed as remaining activity at 10 uM after 30 mins by spectrofluorimetric analysis relative to control	—	IC50 = 2.0 nM
QUINIDINE	Inhibition of recombinant CYP2D6 (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate	—	IC50 = 17.0 nM
QUINIDINE	Inhibition of CYP2D6 (unknown origin) using AMMC by fluorescence assay	—	IC50 = 120.0 nM
QUINIDINE	Inhibition of CYP2D6 in human liver microsome	Liver	IC50 < 6.0 nM
QUINIDINE	Inhibition of CYP2D6 (unknown origin)	—	IC50 = 18.0 nM
QUINIDINE	Inhibition of CYP2D6 (unknown origin) using luciferin tagged substrate preincubated for 10 mins before substrate addition	—	IC50 = 30.0 nM
QUINIDINE	Inhibition of human recombinant CYP2D6 using MFC as substrate incubated for 40 mins by fluorimetry	—	IC50 = 17.0 nM
QUINIDINE	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins by LC-MS analysis	Liver	IC50 = 9.0 nM
QUINIDINE	Inhibition of recombinant human CYP2D6 by P450-Glo luminescence assay	—	IC50 = 60.0 nM
QUINIDINE	Inhibition of CYP2D6 in pooled human hepatic microsomes using dextromethorphan substrate in presence of NADPH	Liver	IC50 = 41.3 nM
QUINIDINE	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC/MS/MS method	Liver	IC50 = 151.0 nM
QUINIDINE	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate after 5 to 15 mins	Liver	IC50 = 35.0 nM
QUINIDINE	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC/MS/MS analysis	Liver	IC50 = 135.0 nM
QUINIDINE	Inhibition of CYP2D6 in human liver microsomes assessed as dextromethorphan O-demethylation after 4 to 40 mins in presence of NADPH by LCMS analysis	Liver	IC50 = 25.0 nM
QUINIDINE	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysis	Liver	IC50 = 118.0 nM
QUINIDINE	Inhibition of CYP2D6 in pooled human liver microsomes pre-incubated for 5 mins before NADPH addition and measured after 10 mins by UPLC-MS/MS analysis relative to control	Liver	IC50 = 78.0 nM
QUINIDINE	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan substrate incubated for 10 mins in presence of NADPH	Liver	IC50 = 156.0 nM
QUINIDINE	Inhibition of CYP2D6 (unknown origin) using beetle D-luciferin as substrate by CYP450-Glo assay	—	IC50 = 10.0 nM
QUINIDINE	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins in presence of NADPH	Liver	IC50 = 156.0 nM
QUINIDINE	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 20 mins in presence of NADP by LC-MS/MS analysis	Liver	IC50 = 263.0 nM
QUINIDINE	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan substrate in presence of NADPH incubated for 10 mins	Liver	IC50 = 134.0 nM
QUINIDINE	Inhibition of human CYP2D6 in presence of NADPH by luciferase reporter gene assay	—	IC50 = 10.0 nM
QUINIDINE	Inhibition of human CYP2D6 by fluorescence method	—	IC50 = 10.0 nM
QUINIDINE	Inhibition of human recombinant CYP2D6 using luciferin as substrate preincubated for 10 mins followed by substrate addition and measured after 50 mins in presence of NADPH by CYP450-Glo assay	—	IC50 = 6.9 nM
QUINIDINE	Inhibition of CYP2D6 (unknown origin) expressed in insect cell microsomes using dibenzylfluorescein substrate by fluorescence based assay	—	IC50 = 7.3 nM
QUINIDINE	Inhibition of CYP2D6 in human liver microsome using probe substrate measured after 20 mins in presence of NADPH by LC-MS/MS analysis	Liver	IC50 = 134.0 nM
QUINIDINE	Inhibition of CYP2D6 in human liver microsomes after 20 mins by LC-MS/MS analysis	Liver	IC50 = 44.0 nM
QUINIDINE	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 5 mins followed by NADPH addition and measured after 20 mins by LC-MS/MS analysis	Liver	IC50 = 35.6 nM
QUINIDINE	Inhibition of CYP2D6 in human liver microsomes using Dextromethorphan as substrate measured after 20 mins by LC-MS/MS analysis	Liver	IC50 = 40.8 nM
QUINIDINE	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysis	Liver	IC50 = 120.0 nM
QUINIDINE	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis	Liver	IC50 = 60.0 nM
QUINIDINE	Inhibition of CYP2D6 in human liver microsome using dextromethorphan as substrate	Liver	IC50 = 64.0 nM
QUINIDINE	Inhibition of CYP2D6 (unknown origin) using quinidine as substrate	—	IC50 = 18.0 nM
QUININE	Inhibition of MAMC O-dealkylation mediated by human Cytochrome P450 2D6 expressed in human lymphoblastoid cell line	—	IC50 = 610.0 nM
QUININE	Inhibition of human CYP2D6 preincubated for 5 mins followed by NADPH addition and measured after 45 mins by luminescence based microplate reader analysis	—	IC50 = 10.0 nM
RIMONABANT	Inhibition of CYP2D6 in human liver microsomes after 30 mins	Liver	IC50 > 20.0 nM
ROSIGLITAZONE	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
TALAZOPARIB	Inhibition of CYP2D6 (unknown origin) at 10 uM	—	Inhibition < 12.0 %
TAMOXIFEN	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
TARANABANT	Inhibition of CYP2D6 in human liver microsomes after 30 mins	Liver	IC50 = 0.59 nM
TICLOPIDINE	Time dependent inhibition of CYP2D6 (unknown origin) at 10 uM by LC/MS system	—	Inhibition < 10.0 %
VENLAFAXINE	Inhibition of human recombinant CYP2D6 at 5 uM assessed as blockade of O-demethylation of dextromethorphan in to dextrophan by nanoscale automated in-capillary assay	—	Inhibition = 0.0 %
VERAPAMIL	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
WARFARIN	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
YOHIMBINE	Inhibition of 1'-hydroxybufuralol formation by human liver microsomes	Liver	Ki = 230.0 nM
YOHIMBINE	Inhibition of 1'-hydroxybufuralol formation by human liver microsomes	Liver	Ki = 140.0 nM
YOHIMBINE	Inhibition of 1'-hydroxybufuralol formation by human liver microsomes	Liver	Ki = 180.0 nM
YOHIMBINE	Inhibition of 1'-hydroxybufuralol formation by human liver microsomes	Liver	Ki = 190.0 nM
YOHIMBINE	Inhibitory effect on Bufuralol 1'-hydroxylation by human liver microsomes (Ki = apparent inhibition constant)	Liver	Ki = 180.0 nM
YOHIMBINE	Inhibition of partially purified cytochrome P450 2D6 1'-hydroxybufuralol formation	—	Ki = 520.0 nM
IMIPRAMINE	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
ABIRATERONE	Inhibition of human hepatic CYP2D6 at 1 uM relative to control	—	Inhibition = 10.4 %
ABIRATERONE	Inhibition of human hepatic CYP2D6 at 10 uM relative to control	—	Inhibition = 78.5 %
CHLOROQUINE	Inhibition of CYP2D6 in human liver microsomes assessed as metabolite produced at 1 uM by LC-MS/MS analysis relative to control	Liver	Inhibition = 99.0 %
CHLOROQUINE	Inhibition of CYP2D6 in human liver microsomes assessed as metabolite produced at 10 uM by LC-MS/MS analysis relative to control	Liver	Inhibition = 90.0 %
CLOPIDOGREL	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
PIOGLITAZONE	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
ZOMEPIRAC	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
DORAMAPIMOD	Inhibition of CYP2D6 (unknown origin) at 30 uM	—	Inhibition = 11.0 %
AMINOPYRINE	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
PF-00562271	Inhibition of CYP2D6 (unknown origin) at 10 uM relative to control	—	Inhibition = 90.5 %
LUMINESPIB	Inhibition of CYP2D6 in human liver microsomes at 10 uM after 20 mins	Liver	Inhibition = 30.0 %
CHS-828	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH by LC-MS/MS analysis	Liver	IC50 = 190.0 nM
ADL-5747	Inhibition of human CYP2D6 at 10 uM	—	Inhibition = 12.5 %
TRIFLUPERIDOL	Inhibitory constant for cytochrome P450 2D6	—	Ki = 170.0 nM
EZLOPITANT	Inhibition of human CYP2D6 at 5 uM	—	Inhibition = 64.1 %
EZLOPITANT	Binding affinity to human CYP2D6 using bufuralol as substrate	—	Ki = 420.0 nM
ASTEMIZOLE	Inhibition of CYP2D6-mediated dextromethorphan metabolite formation in human liver microsomes at 0.3 uM after 8 mins by LC-MS/MS analysis relative to control	Liver	Inhibition = 8.5 %
ZOTIRACICLIB	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 30 mins by LC-MS/MS analysis	Liver	IC50 = 950.0 nM
TACRINE	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition = 24.0 %
BERGAPTEN	Inhibition of recombinant human CYP2D6 expressed in baker's yeast-derived microsomes (Sacchrosomes) at 10 uM using 7-ethoxy-methyloxy-3-cyanocoumarin substrate by EROD assay relative to control	—	Inhibition = 9.0 %
TICRYNAFEN	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
MAVELERTINIB	Inhibition of human CYP2D6 at 10 uM	—	Inhibition < 30.0 %
LY-2886721	Inhibition of CYP2D6 in human liver microsomes at 10 uM using bufuralol as substrate preincubated for 10 mins followed by substrate and NADPH addition measured after 3 mins by LC-MS/MS analysis	Liver	Inhibition = 29.0 %
CP-866087	Inhibition of CYP2D6 (unknown origin) at 3 uM after 8 mins	—	Inhibition = 6.0 %
AZD-3759	Inhibition of CYP2D6 (unknown origin)	—	IC50 > 50.0 nM
BUCINDOLOL	Inhibitory activity against recombinant human Cytochrome P450 2D6 (CYP2D6) after incubated for 45 minutes	—	IC50 = 50.0 nM
VEROSUDIL	Inhibition of human CYP2D6 at 10 uM	—	Inhibition = 67.0 %
VACTOSERTIB	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate at 10 uM incubated for 5 mins prior to substrate addition measured after 10 mins by LC/MS/MS analysis	Liver	Inhibition = 14.6 %
INDOMETHACIN	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
DEXTROMETHORPHAN	Inhibition of human CYP2D6 at 10 uM	—	Inhibition = 94.37 %
PLUMBAGIN	Inhibition of recombinant human CYP2D6 expressed in baker's yeast-derived microsomes (Sacchrosomes) at 10 uM using 7-ethoxy-methyloxy-3-cyanocoumarin substrate by EROD assay relative to control	—	Inhibition = 10.0 %
MAVORIXAFOR	Inhibition of human CYP2D6 at 1 uM	—	Inhibition = 100.0 %
LORATADINE	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 8 mins by LC-MS/MS analysis	Liver	IC50 < 100.0 nM
EXEMESTANE	Drug metabolism assessed as human recombinant CYP2D6-mediated 17-hydroexemestane and 6-Hydroxymethylexemestane formation assessed as inhibition of metabolite formation at 10 uM after 10 mins by Michaelis-Menten saturation curve analysis in presence of 1 uM quinidine	—	Inhibition < 20.0 %
NEVIRAPINE	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	—	Inhibition < 10.0 %
ALDUMASTAT	Inhibition of CYP2D6 (unknown origin) at 10 uM	—	Inhibition < 50.0 %
ZIMLOVISERTIB	Inhibition of CYP2D6 in human liver microsomes at 3 uM	Liver	Inhibition < 5.0 %
EMAVUSERTIB	Inhibition of CYP2D6 (unknown origin) at 1 uM relative to control	—	Inhibition < 5.0 %

>ENSG00000100197|Cytochrome P450 2D6
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR

Identifier	Resolution	Method	Chain	Positions	Source
3TBG	2.10 Å	X-ray	A/B/C/D	34-497	PDB
4WNU	2.26 Å	X-ray	A/B/C/D	34-497	PDB
4WNV	2.35 Å	X-ray	A/B/C/D	48-497	PDB
6CSB	2.39 Å	X-ray	A/B/C/D	34-497	PDB
6CSD	2.39 Å	X-ray	A/B	34-497	PDB
4XRZ	2.40 Å	X-ray	A/B/C/D	34-497	PDB
4XRY	2.50 Å	X-ray	A/B/C/D	34-497	PDB
4WNT	2.60 Å	X-ray	A/B	34-497	PDB
3TDA	2.67 Å	X-ray	A/B/C/D	34-497	PDB
5TFT	2.71 Å	X-ray	A/B/C/D	34-497	PDB
5TFU	2.75 Å	X-ray	A/B/C/D	34-497	PDB
3QM4	2.85 Å	X-ray	A/B	34-497	PDB
2F9Q	3.00 Å	X-ray	A/B/C/D	34-497	PDB
4WNW	3.30 Å	X-ray	A/B	34-497	PDB

Metabolism R-HSA-1430728
Biological oxidations R-HSA-211859
Cytochrome P450 - arranged by substrate type R-HSA-211897
Fatty acids R-HSA-211935
Phase I - Functionalization of compounds R-HSA-211945
Miscellaneous substrates R-HSA-211958
Xenobiotics R-HSA-211981
CYP2E1 reactions R-HSA-211999
Metabolism of lipids R-HSA-556833
Biosynthesis of DHA-derived SPMs R-HSA-9018677
Biosynthesis of specialized proresolving mediators (SPMs) R-HSA-9018678
Biosynthesis of maresins R-HSA-9018682
Biosynthesis of maresin-like SPMs R-HSA-9027307
Drug ADME R-HSA-9748784
Aspirin ADME R-HSA-9749641


Expression Atlas	ENSG00000100197
GeneCards	2625
HGNC Symbol	HGNC:2625
LRG display in Ensembl gene	LRG_303
MIM gene	124030
MIM morbid	608902
NCBI gene (formerly Entrezgene)	1565
UniProtKB Gene Name	Q6NWU0
UniProtKB Gene Name	Q6NWU0
UniProtKB Gene Name	Q6NWU0
UniProtKB Gene Name	Q6NWU0
UniProtKB Gene Name	Q6NWU0
UniProtKB Gene Name	Q6NWU0
UniProtKB Gene Name	Q6NWU0
WikiGene	1565