BioLiP

PDB

BioLiP

PDB CCD ID:

HCS

Number of entries in BioLiP:

Chemical formula:

C4 H9 N O2 S

InChI:

InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1

InChIKey:

FFFHZYDWPBMWHY-VKHMYHEASA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[C@@H](CCS)C(O)=O
ACDLabs 10.04	O=C(O)C(N)CCS
OpenEye OEToolkits 1.5.0	C(CS)[C@@H](C(=O)O)N
CACTVS 3.341	N[CH](CCS)C(O)=O
OpenEye OEToolkits 1.5.0	C(CS)C(C(=O)O)N

Name:

2-AMINO-4-MERCAPTO-BUTYRIC ACID;
L-Homocysteine

ChEMBL:

CHEMBL469662

DrugBank:

DB04422

ZINC:

ZINC000000895077

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).