BioLiP

PDB

BioLiP

PDB CCD ID:

YRV

Number of entries in BioLiP:

Chemical formula:

C11 H15 N O2 S

InChI:

InChI=1S/C11H15NO2S/c1-8-3-2-4-9(5-8)6-15-7-10(12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)/t10-/m0/s1

InChIKey:

ZQJYENZJJPWXJK-JTQLQIEISA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cccc(CSC[C@H](N)C(O)=O)c1
ACDLabs 12.01	O=C(O)C(N)CSCc1cccc(C)c1
OpenEye OEToolkits 2.0.7	Cc1cccc(c1)CSCC(C(=O)O)N
OpenEye OEToolkits 2.0.7	Cc1cccc(c1)CSC[C@@H](C(=O)O)N
CACTVS 3.385	Cc1cccc(CSC[CH](N)C(O)=O)c1

Name:

S-[(3-methylphenyl)methyl]-L-cysteine

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).