BioLiP

PDB

BioLiP

PDB CCD ID:

72H

Number of entries in BioLiP:

Chemical formula:

C15 H12 N2 O2 S

InChI:

InChI=1S/C15H12N2O2S/c16-20(18,19)14-7-5-11(6-8-14)13-9-12-3-1-2-4-15(12)17-10-13/h1-10H,(H2,16,18,19)

InChIKey:

HGZKFXIUXSUJHM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.5	c1ccc2c(c1)cc(cn2)c3ccc(cc3)S(=O)(=O)N
ACDLabs 12.01	c2c1ccccc1ncc2c3ccc(S(=O)(=O)N)cc3
CACTVS 3.385	N[S](=O)(=O)c1ccc(cc1)c2cnc3ccccc3c2

Name:

4-(3-quinolinyl)-benzenesulfonamide;
4-(quinolin-3-yl)benzene-1-sulfonamide

ChEMBL:

CHEMBL3764628

ZINC:

ZINC000584905023

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).