BioLiP

PDB

BioLiP

PDB CCD ID:

O3W

Number of entries in BioLiP:

Chemical formula:

C10 H13 N O S

InChI:

InChI=1S/C10H13NOS/c1-11(7-8-13)10(12)9-5-3-2-4-6-9/h2-6,13H,7-8H2,1H3

InChIKey:

YRFYBOKUPNHNTG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CN(CCS)C(=O)c1ccccc1

Name:

~{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).