BioLiP

PDB

BioLiP

PDB CCD ID:

5DH

Number of entries in BioLiP:

Chemical formula:

C21 H15 N O2

InChI:

InChI=1S/C21H15NO2/c22-14-20(15-4-2-1-3-5-15)21(16-6-10-18(23)11-7-16)17-8-12-19(24)13-9-17/h1-13,23-24H

InChIKey:

PMKMHLVHNOXPOY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1ccc(cc1)C(c2ccc(O)cc2)=C(C#N)c3ccccc3
ACDLabs 12.01	N#C\C(=C(/c1ccc(O)cc1)c2ccc(cc2)O)c3ccccc3
OpenEye OEToolkits 1.9.2	c1ccc(cc1)C(=C(c2ccc(cc2)O)c3ccc(cc3)O)C#N

Name:

3,3-bis(4-hydroxyphenyl)-2-phenylprop-2-enenitrile

ChEMBL:

CHEMBL65053

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).