BioLiP

PDB

BioLiP

PDB CCD ID:

EH6

Number of entries in BioLiP:

Chemical formula:

C19 H14 Cl N O2

InChI:

InChI=1S/C19H14ClNO2/c20-15-10-6-12-17(18(15)13-7-2-1-3-8-13)21-16-11-5-4-9-14(16)19(22)23/h1-12,21H,(H,22,23)

InChIKey:

TZKVOTHQTFDACW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1ccccc1Nc2cccc(Cl)c2c3ccccc3
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2c(cccc2Cl)Nc3ccccc3C(=O)O

Name:

2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid

ChEMBL:

CHEMBL4632412

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).