BioLiP

PDB

BioLiP

PDB CCD ID:

201

Number of entries in BioLiP:

Chemical formula:

C20 H15 N O3

InChI:

InChI=1S/C20H15NO3/c21-19(22)17-10-16(11-18(12-17)20(23)24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H2,21,22)(H,23,24)

InChIKey:

LAZPCGBRHLARSI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)c2ccc(cc2)c3cc(cc(c3)C(=O)O)C(=O)N
CACTVS 3.341	NC(=O)c1cc(cc(c1)c2ccc(cc2)c3ccccc3)C(O)=O
ACDLabs 10.04	O=C(c3cc(c2ccc(c1ccccc1)cc2)cc(c3)C(=O)O)N

Name:

3-AMIDO-5-BIPHENYL-BENZOIC ACID;
5-(AMINOCARBONYL)-1,1':4',1''-TERPHENYL-3-CARBOXYLIC ACID

ChEMBL:

CHEMBL203836

DrugBank:

DB04583

ZINC:

ZINC000012504430

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).