CYSTEINE

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Search structure


Synonyms	Cysteine Cysteine HCl Cysteinum E 920 E920 E921 FEMA NO. 3263 L-cysteine NSC-8746
Status
Molecule Category	UNKNOWN
UNII	K848JZ4886
EPA CompTox	DTXSID8022876


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	XUJNEKJLAYXESH-REOHCLBHSA-N
Smiles	N[C@@H](CS)C(=O)O
InChI	InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C3H7NO2S
Molecular Weight	121.16
AlogP	-0.67
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	63.32
Molecular species	ZWITTERION
Aromatic Rings	0.0
Heavy Atoms	7.0

Assay Description	Organism	Bioactivity	Reference
Inhibition of ASCT2 mediated [3H]-D-serine uptake in rat hippocampal astrocytes at 1 mM after 5 mins by beta counting analysis	Rattus norvegicus	25.0 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging	Homo sapiens	3.32 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	14.18 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	0.09 %		Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	0.09 %

Cross References

Resources	Reference
ChEBI	17561
ChEMBL	CHEMBL863
DrugBank	DB00151
DrugCentral	769
FDA SRS	K848JZ4886
Human Metabolome Database	HMDB0000574
Guide to Pharmacology	4782
KEGG	C00097
PDB	CYS
PharmGKB	PA449173
PubChem	5862
SureChEMBL	SCHEMBL3349
ZINC	ZINC000000895042

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).