BioLiP

PDB

BioLiP

PDB CCD ID:

5DJ

Number of entries in BioLiP:

Chemical formula:

C20 H16 O2

InChI:

InChI=1S/C20H16O2/c21-18-10-6-16(7-11-18)20(14-15-4-2-1-3-5-15)17-8-12-19(22)13-9-17/h1-14,21-22H

InChIKey:

CKNFKDYCAQZYBQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1ccc(cc1)C=C(c2ccc(cc2)O)c3ccc(cc3)O
ACDLabs 12.01	c1c(ccc(c1)O)C(c2ccc(O)cc2)=[C@H]c3ccccc3
CACTVS 3.385	Oc1ccc(cc1)C(=Cc2ccccc2)c3ccc(O)cc3

Name:

4,4'-(2-phenylethene-1,1-diyl)diphenol

ChEMBL:

CHEMBL415864

ZINC:

ZINC000013492380

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).