BioLiP

PDB

BioLiP

PDB CCD ID:

W6K

Number of entries in BioLiP:

Chemical formula:

C20 H16 Cl N O2

InChI:

InChI=1S/C20H16ClNO2/c1-13-7-5-11-16(18(13)20(23)24)22-17-12-6-10-15(21)19(17)14-8-3-2-4-9-14/h2-12,22H,1H3,(H,23,24)

InChIKey:

RETKATZYCRROBY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cccc(Nc2cccc(Cl)c2c3ccccc3)c1C(O)=O
OpenEye OEToolkits 2.0.7	Cc1cccc(c1C(=O)O)Nc2cccc(c2c3ccccc3)Cl

Name:

2-[(3-chloranyl-2-phenyl-phenyl)amino]-6-methyl-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).