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BioLiP

PDB CCD ID: RU7
Number of entries in BioLiP: 5
Chemical formula: C10 H14 Cl2 Ru
InChI: InChI=1S/C10H14.2ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10;;;/h4-8H,1-3H3;2*1H;/q;;;+2/p-2
InChIKey: UCXDWSTYBSBFFB-UHFFFAOYSA-L
SMILES:
SoftwareSMILES
CACTVS 3.370CC(C)C|12=C3|[Ru]|4|5|6|1(Cl)(Cl)|C(=C2|4)C|5(=C3|6)C
OpenEye OEToolkits 1.7.6CC(C)C12=[CH]3[Ru]1456([CH]2=[CH]4C5(=[CH]63)C)(Cl)Cl
ACDLabs 12.01Cl[Ru]65432(Cl)C1=C6C5(=C4C3=C12C(C)C)C
Name:PARA-CYMENE RUTHENIUM CHLORIDE
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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