BioLiP

PDB

BioLiP

PDB CCD ID:

WJC

Number of entries in BioLiP:

Chemical formula:

C21 H19 N O3

InChI:

InChI=1S/C21H19NO3/c1-15-10-11-20(19(12-15)21(23)24)22-17-8-5-9-18(13-17)25-14-16-6-3-2-4-7-16/h2-13,22H,14H2,1H3,(H,23,24)

InChIKey:

WDRAJWHANCQFDD-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ccc(Nc2cccc(OCc3ccccc3)c2)c(c1)C(O)=O
OpenEye OEToolkits 2.0.7	Cc1ccc(c(c1)C(=O)O)Nc2cccc(c2)OCc3ccccc3

Name:

5-methyl-2-[(3-phenylmethoxyphenyl)amino]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).