BioLiP

PDB

BioLiP

PDB CCD ID:

PCQ

Number of entries in BioLiP:

Chemical formula:

C12 H6 Cl4 O2

InChI:

InChI=1S/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H

InChIKey:

YCYDXOVJXVALHY-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	Clc1cc(cc(Cl)c1O)c2cc(Cl)c(O)c(Cl)c2
OpenEye OEToolkits 1.5.0	c1c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl
CACTVS 3.341	Oc1c(Cl)cc(cc1Cl)c2cc(Cl)c(O)c(Cl)c2

Name:

3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL

ChEMBL:

CHEMBL83116

DrugBank:

DB03346

ZINC:

ZINC000000294550

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).