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BioLiP

PDB CCD ID: E3D
Number of entries in BioLiP: 2
Chemical formula: C9 H10 Cl2 N2 Ru
InChI: InChI=1S/C9H10N2.2ClH.Ru/c1-10-7-11(2)9-6-4-3-5-8(9)10;;;/h3-6H,1-2H3;2*1H;/q+1;;;+2/p-2
InChIKey: AATWLMBEQHDZRT-UHFFFAOYSA-L
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cn1c2ccccc2[n+](c1[Ru](Cl)Cl)C
CACTVS 3.385Cn1c2ccccc2[n+](C)c1[Ru](Cl)Cl
ACDLabs 12.01c1([Ru](Cl)Cl)n(C)c2c([n+]1C)cccc2
Name:dichloro(1,3-dimethyl-1H-benzimidazol-3-ium-2-yl)ruthenium;
dichlorido(1,3-dimethylbenzimidazol-2-ylidene)ruthenium(II)
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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