BioLiP

PDB

BioLiP

PDB CCD ID:

A1JNY

Number of entries in BioLiP:

Chemical formula:

C17 H16 N2 O4 S

InChI:

InChI=1S/C17H16N2O4S/c1-22-14-7-8-16(23-2)17(10-14)24(20,21)19-13-9-12-5-3-4-6-15(12)18-11-13/h3-11,19H,1-2H3

InChIKey:

JZSPHTPWUXNQGB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc(OC)c(c1)[S](=O)(=O)Nc2cnc3ccccc3c2
OpenEye OEToolkits 2.0.7	COc1ccc(c(c1)S(=O)(=O)Nc2cc3ccccc3nc2)OC

Name:

2,5-dimethoxy-~{N}-quinolin-3-yl-benzenesulfonamide

ChEMBL:

CHEMBL567850

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).