BioLiP

PDB

BioLiP

PDB CCD ID:

WSI

Number of entries in BioLiP:

Chemical formula:

C20 H15 Cl N2 O5 S

InChI:

InChI=1S/C20H15ClN2O5S/c21-14-8-10-15(11-9-14)22-19(24)13-4-3-5-16(12-13)29(27,28)23-18-7-2-1-6-17(18)20(25)26/h1-12,23H,(H,22,24)(H,25,26)

InChIKey:

VFTDTUYAXCTQQQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)C(=O)O)NS(=O)(=O)c2cccc(c2)C(=O)Nc3ccc(cc3)Cl
CACTVS 3.385	OC(=O)c1ccccc1N[S](=O)(=O)c2cccc(c2)C(=O)Nc3ccc(Cl)cc3

Name:

2-[[3-[(4-chlorophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid

ChEMBL:

CHEMBL5556908

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).