BioLiP

PDB

BioLiP

PDB CCD ID:

HKQ

Number of entries in BioLiP:

Chemical formula:

C17 H13 Cl N2 O2 S

InChI:

InChI=1S/C17H13ClN2O2S/c18-17-16(20-23(21,22)15-9-5-2-6-10-15)11-14(12-19-17)13-7-3-1-4-8-13/h1-12,20H

InChIKey:

BKSZOJANUXVKCU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1ncc(cc1N[S](=O)(=O)c2ccccc2)c3ccccc3
OpenEye OEToolkits 2.0.6	c1ccc(cc1)c2cc(c(nc2)Cl)NS(=O)(=O)c3ccccc3

Name:

~{N}-(2-chloranyl-5-phenyl-pyridin-3-yl)benzenesulfonamide

ChEMBL:

CHEMBL4555426

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).