BioLiP

PDB

BioLiP

PDB CCD ID:

A1D93

Number of entries in BioLiP:

Chemical formula:

C14 H13 N3 O2 S

InChI:

InChI=1S/C14H13N3O2S/c18-20(19,9-11-4-2-1-3-5-11)17-12-6-7-13-14(8-12)16-10-15-13/h1-8,10,17H,9H2,(H,15,16)

InChIKey:

XOKIPUOFVAXWHS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CS(=O)(=O)Nc2ccc3c(c2)[nH]cn3
CACTVS 3.385	O=[S](=O)(Cc1ccccc1)Nc2ccc3nc[nH]c3c2

Name:

N-(1H-benzo[d]imidazol-5-yl)-1-phenylmethanesulfonamide

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).