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BioLiP Library

PDB CCD ID: 7GE
Number of entries in BioLiP: 2
Chemical formula: C7 H6 Cl5 N2 Ru
InChI: InChI=1S/C7H6N2.5ClH.Ru/c1-2-4-7-6(3-1)5-8-9-7;;;;;;/h1-5H,(H,8,9);5*1H;/q;;;;;;+5/p-5
InChIKey: BDILZFSGPXXJCX-UHFFFAOYSA-I
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)c[n+]([nH]2)[Ru-](Cl)(Cl)(Cl)(Cl)Cl
CACTVS 3.385Cl[Ru-](Cl)(Cl)(Cl)(Cl)[n+]1[nH]c2ccccc2c1
Name:pentakis(chloranyl)-(1~{H}-indazol-2-ium-2-yl)ruthenium(1-)
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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