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BioLiP Library

PDB CCD ID: PCQ
Number of entries in BioLiP: 6
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:
SoftwareSMILES
ACDLabs 10.04Clc1cc(cc(Cl)c1O)c2cc(Cl)c(O)c(Cl)c2
OpenEye OEToolkits 1.5.0c1c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl
CACTVS 3.341Oc1c(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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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