BioLiP

PDB

BioLiP

PDB CCD ID:

0D1

Number of entries in BioLiP:

Chemical formula:

C14 H10 Cl2 O2

InChI:

InChI=1S/C14H10Cl2O2/c15-14(16)13(9-1-5-11(17)6-2-9)10-3-7-12(18)8-4-10/h1-8,17-18H

InChIKey:

OWEYKIWAZBBXJK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc(ccc1C(=C(Cl)Cl)c2ccc(cc2)O)O
ACDLabs 12.01	Cl/C(Cl)=C(/c1ccc(O)cc1)c2ccc(O)cc2
CACTVS 3.370	Oc1ccc(cc1)C(=C(Cl)Cl)c2ccc(O)cc2

Name:

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

ChEMBL:

CHEMBL592305

ZINC:

ZINC000000508310

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).