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BioLiP

PDB CCD ID: OM4
Number of entries in BioLiP: 1
Chemical formula: C13 H9 Cl3 O
InChI: InChI=1S/C13H9Cl3O/c1-17-13-5-3-9(7-12(13)16)8-2-4-10(14)11(15)6-8/h2-7H,1H3
InChIKey: HEPYVKVRVSITAU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc(cc1Cl)c2ccc(Cl)c(Cl)c2
OpenEye OEToolkits 2.0.6COc1ccc(cc1Cl)c2ccc(c(c2)Cl)Cl
Name:1,2-bis(chloranyl)-4-(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).
  • 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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