BioLiP

PDB

BioLiP

PDB CCD ID:

D5U

Number of entries in BioLiP:

Chemical formula:

C17 H16 O4

InChI:

InChI=1S/C17H16O4/c1-21-16-9-5-4-8-14(16)15(18)11-10-12-6-2-3-7-13(12)17(19)20/h2-9H,10-11H2,1H3,(H,19,20)

InChIKey:

BGYZYPMQNIMFRN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccccc1C(=O)CCc2ccccc2C(=O)O
CACTVS 3.385	COc1ccccc1C(=O)CCc2ccccc2C(O)=O

Name:

2-[3-(2-methoxyphenyl)-3-oxidanylidene-propyl]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).