BioLiP

PDB

BioLiP

PDB CCD ID:

ZBZ

Number of entries in BioLiP:

Chemical formula:

C10 H11 N O3 S

InChI:

InChI=1S/C10H11NO3S/c11-8(9(12)13)6-15-10(14)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)/t8-/m0/s1

InChIKey:

OWZIPHGMKGSDNS-QMMMGPOBSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)C(N)CSC(=O)c1ccccc1
OpenEye OEToolkits 1.7.0	c1ccc(cc1)C(=O)SC[C@@H](C(=O)O)N
OpenEye OEToolkits 1.7.0	c1ccc(cc1)C(=O)SCC(C(=O)O)N
CACTVS 3.370	N[CH](CSC(=O)c1ccccc1)C(O)=O
CACTVS 3.370	N[C@@H](CSC(=O)c1ccccc1)C(O)=O

Name:

S-(phenylcarbonyl)-L-cysteine

ChEMBL:

CHEMBL1561060

ZINC:

ZINC000003954221

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).