BioLiP

PDB

BioLiP

PDB CCD ID:

6IQ

Number of entries in BioLiP:

Chemical formula:

C13 H8 Cl2 N2 O2 S

InChI:

InChI=1S/C13H8Cl2N2O2S/c14-9-5-6-10(15)13(7-9)20(18,19)17-8-16-11-3-1-2-4-12(11)17/h1-8H

InChIKey:

PXUHMEZESKEPKJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1ccc(Cl)c(c1)[S](=O)(=O)n2cnc3ccccc23
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)ncn2S(=O)(=O)c3cc(ccc3Cl)Cl

Name:

1-[2,5-bis(chloranyl)phenyl]sulfonylbenzimidazole

ZINC:

ZINC000000051410

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).