BioLiP

PDB

BioLiP

PDB CCD ID:

EHU

Number of entries in BioLiP:

Chemical formula:

C20 H17 Cl N2 O2

InChI:

InChI=1S/C20H17ClN2O2/c1-22-17-12-11-16(18(19(17)21)13-7-3-2-4-8-13)23-15-10-6-5-9-14(15)20(24)25/h2-12,22-23H,1H3,(H,24,25)

InChIKey:

RZIPOOPDWJBCHO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CNc1ccc(Nc2ccccc2C(O)=O)c(c1Cl)c3ccccc3
OpenEye OEToolkits 2.0.7	CNc1ccc(c(c1Cl)c2ccccc2)Nc3ccccc3C(=O)O

Name:

2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid

ChEMBL:

CHEMBL4644810

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).