BioLiP

PDB

BioLiP

PDB CCD ID:

A8I

Number of entries in BioLiP:

Chemical formula:

C14 H10 O3

InChI:

InChI=1S/C14H10O3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17/h1-9H,(H,16,17)

InChIKey:

AXJXRLHTQQONQR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C(=O)c2cccc(c2)C(=O)O
CACTVS 3.385	OC(=O)c1cccc(c1)C(=O)c2ccccc2

Name:

3-benzoylbenzoic acid;
3-(phenylcarbonyl)benzoic acid;
benzophenone-3-carboxylic acid;
3-carboxybenzophenone

ZINC:

ZINC000000409186

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).