BioLiP

PDB

BioLiP

PDB CCD ID:

A1B8D

Number of entries in BioLiP:

Chemical formula:

C20 H16 N4 O5 S

InChI:

InChI=1S/C20H16N4O5S/c1-28-15-8-10-16(11-9-15)30(26,27)24-14-5-2-4-13(12-14)20(25)21-17-6-3-7-18-19(17)23-29-22-18/h2-12,24H,1H3,(H,21,25)

InChIKey:

VFGRBRGSXYSVJQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)Nc1cccc2nonc12
OpenEye OEToolkits 3.1.0.0	COc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)C(=O)Nc3cccc4c3non4
CACTVS 3.385	COc1ccc(cc1)[S](=O)(=O)Nc2cccc(c2)C(=O)Nc3cccc4nonc34

Name:

N-(2,1,3-benzoxadiazol-4-yl)-3-(4-methoxybenzene-1-sulfonamido)benzamide

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).