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BioLiP

PDB CCD ID: RUC
Number of entries in BioLiP: 2
Chemical formula: C6 H6 Ru
InChI: InChI=1S/C6H6.Ru/c1-2-4-6-5-3-1;/h1-6H;
InChIKey: BFWXATGPNNYZKL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7[CH]12=[CH]3[Ru]1456[CH]2=[CH]4[CH]5=[CH]63
CACTVS 3.385[Ru].C1=CC=CC=C1
Name:(eta6-benzene)ruthenium
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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