SERINE


Synonyms	L-serine NSC-118365 Serine
Status
Molecule Category	UNKNOWN
UNII	452VLY9402
EPA CompTox	DTXSID60883230


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

Structure


InChI Key	MTCFGRXMJLQNBG-REOHCLBHSA-N
Smiles	N[C@@H](CO)C(=O)O
InChI	InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C3H7NO3
Molecular Weight	105.09
AlogP	-1.61
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	83.55
Molecular species	ZWITTERION
Aromatic Rings	0.0
Heavy Atoms	7.0

Assay Description	Organism	Bioactivity
Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 30 mins by Ellman's method	Electrophorus electricus	15.0 nM
Inhibition of equine serum butyrylcholinesterase using butyrylthiocholineidioide as substrate preincubated for 20 mins followed by substrate addition measured for 30 mins by Ellman's method	Equus caballus	16.0 nM
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 %

Cross References

Resources	Reference
ChEBI	33384
ChEMBL	CHEMBL11298
DrugBank	DB00133
DrugCentral	4127
FDA SRS	452VLY9402
Human Metabolome Database	HMDB0000187
Guide to Pharmacology	726
KEGG	C00065
PDB	SER
PharmGKB	PA451330
PubChem	5951
SureChEMBL	SCHEMBL1775
ZINC	ZINC000000895034

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).

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).