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BioLiP

PDB CCD ID: OMF
Number of entries in BioLiP: 1
Chemical formula: C13 H8 Cl4 O
InChI: InChI=1S/C13H8Cl4O/c1-18-12-3-2-7(4-9(12)14)8-5-10(15)13(17)11(16)6-8/h2-6H,1H3
InChIKey: ZPWFINDBNFLFDF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc(cc1Cl)c2cc(Cl)c(Cl)c(Cl)c2
OpenEye OEToolkits 2.0.6COc1ccc(cc1Cl)c2cc(c(c(c2)Cl)Cl)Cl
Name:1,2,3-tris(chloranyl)-5-(3-chloranyl-4-methoxy-phenyl)benzene
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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