BioLiP

PDB

BioLiP

PDB CCD ID:

WU0

Number of entries in BioLiP:

Chemical formula:

C20 H14 O4

InChI:

InChI=1S/C20H14O4/c21-19(22)15-8-4-13(5-9-15)17-2-1-3-18(12-17)14-6-10-16(11-7-14)20(23)24/h1-12H,(H,21,22)(H,23,24)

InChIKey:

KFHMRRYUOBRPAA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)c2ccc(cc2)C(=O)O)c3ccc(cc3)C(=O)O
CACTVS 3.385	OC(=O)c1ccc(cc1)c2cccc(c2)c3ccc(cc3)C(O)=O

Name:

4-[3-(4-carboxyphenyl)phenyl]benzoic acid;
[1,1':3',1''-Terphenyl]-4,4''-dicarboxylic acid

ChEMBL:

CHEMBL66223

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).