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BioLiP

PDB CCD ID: 0D1
Number of entries in BioLiP: 4
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:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(ccc1C(=C(Cl)Cl)c2ccc(cc2)O)O
ACDLabs 12.01Cl/C(Cl)=C(/c1ccc(O)cc1)c2ccc(O)cc2
CACTVS 3.370Oc1ccc(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, Peter L 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).

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