BioLiP

PDB

BioLiP

PDB CCD ID:

BCS

Number of entries in BioLiP:

Chemical formula:

C10 H13 N O2 S

InChI:

InChI=1S/C10H13NO2S/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1

InChIKey:

GHBAYRBVXCRIHT-VIFPVBQESA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[CH](CSCc1ccccc1)C(O)=O
CACTVS 3.341	N[C@@H](CSCc1ccccc1)C(O)=O
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CSCC(C(=O)O)N
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CSC[C@@H](C(=O)O)N
ACDLabs 10.04	O=C(O)C(N)CSCc1ccccc1

Name:

BENZYLCYSTEINE

ChEMBL:

CHEMBL63130

DrugBank:

DB04531

ZINC:

ZINC000000404298

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).