BioLiP

PDB

BioLiP

PDB CCD ID:

CY3

Number of entries in BioLiP:

Chemical formula:

C3 H8 N2 O S

InChI:

InChI=1S/C3H8N2OS/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H2,5,6)/t2-/m0/s1

InChIKey:

YEDNBEGNKOANMB-REOHCLBHSA-N

SMILES:

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

Name:

2-AMINO-3-MERCAPTO-PROPIONAMIDE

DrugBank:

DB03275

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).