BioLiP

PDB

BioLiP

PDB CCD ID:

Q9L

Number of entries in BioLiP:

Chemical formula:

C25 H18 Cl N O4 S

InChI:

InChI=1S/C25H18ClNO4S/c26-21-11-6-19(7-12-21)20-10-15-23(25(28)29)24(16-20)27-32(30,31)22-13-8-18(9-14-22)17-4-2-1-3-5-17/h1-16,27H,(H,28,29)

InChIKey:

QVCMKVFCMWPIHK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1ccc(cc1N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c4ccc(Cl)cc4
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3cc(ccc3C(=O)O)c4ccc(cc4)Cl

Name:

4-(4-chlorophenyl)-2-[(4-phenylphenyl)sulfonylamino]benzoic acid

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).