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BioLiP

PDB CCD ID: 6WT
Number of entries in BioLiP: 2
Chemical formula: C14 H9 Cl5
InChI: InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H
InChIKey: YVGGHNCTFXOJCH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl)Cl
CACTVS 3.385Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl
Name:1-chloranyl-4-[2,2,2-tris(chloranyl)-1-(4-chlorophenyl)ethyl]benzene
ChEMBL: CHEMBL416898
DrugBank: DB13424
ZINC: ZINC000001530011
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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