BioLiP

PDB

BioLiP

PDB CCD ID:

JJJ

Number of entries in BioLiP:

Chemical formula:

C9 H10 N2 O3 S

InChI:

InChI=1S/C9H10N2O3S/c10-7(8(12)13)5-15-9(14)6-2-1-3-11-4-6/h1-4,7H,5,10H2,(H,12,13)/t7-/m0/s1

InChIKey:

TUTDPGCNTQUCOY-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1cc(cnc1)C(=O)SC[C@@H](C(=O)O)N
CACTVS 3.370	N[CH](CSC(=O)c1cccnc1)C(O)=O
CACTVS 3.370	N[C@@H](CSC(=O)c1cccnc1)C(O)=O
ACDLabs 12.01	O=C(O)C(N)CSC(=O)c1cccnc1
OpenEye OEToolkits 1.7.0	c1cc(cnc1)C(=O)SCC(C(=O)O)N

Name:

S-(pyridin-3-ylcarbonyl)-L-cysteine

ZINC:

ZINC000058650369

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).