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BioLiP

PDB CCD ID: 27N
Number of entries in BioLiP: 3
Chemical formula: C14 H11 Cl3 O2
InChI: InChI=1S/C14H11Cl3O2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1-8,13,18-19H
InChIKey: IUGDILGOLSSKNE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(ccc1C(c2ccc(cc2)O)C(Cl)(Cl)Cl)O
ACDLabs 12.01ClC(Cl)(Cl)C(c1ccc(O)cc1)c2ccc(O)cc2
CACTVS 3.385Oc1ccc(cc1)C(c2ccc(O)cc2)C(Cl)(Cl)Cl
Name:4,4'-(2,2,2-trichloroethane-1,1-diyl)diphenol
ChEMBL: CHEMBL196585
ZINC: ZINC000000283101
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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