BioLiP

PDB

BioLiP

PDB CCD ID:

OQ9

Number of entries in BioLiP:

Chemical formula:

C11 H13 N O2 S

InChI:

InChI=1S/C11H13NO2S/c1-12(6-7-15)11(14)10-4-2-9(8-13)3-5-10/h2-5,8,15H,6-7H2,1H3

InChIKey:

QWNZTSSYNZIANR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CN(CCS)C(=O)c1ccc(cc1)C=O
CACTVS 3.385	CN(CCS)C(=O)c1ccc(C=O)cc1

Name:

4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide

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).