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BioLiP

PDB CCD ID: GWQ
Number of entries in BioLiP: 0
Chemical formula: C43 H25 N9 Ru
InChI: InChI=1S/C19H9N5.2C12H8N2.Ru/c20-10-11-5-6-14-15(9-11)24-19-13-4-2-8-22-17(13)16-12(18(19)23-14)3-1-7-21-16;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-9H;2*1-8H;/q;;;+2
InChIKey: BPUYGOQCFHGENR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N#Cc1ccc2nc3c4ccc[n+]5c4c6c(ccc[n+]6[Ru-4]578([n+]9cccc%10ccc%11ccc[n+]7c%11c9%10)[n+]%12cccc%13ccc%14ccc[n+]8c%14c%12%13)c3nc2c1
OpenEye OEToolkits 2.0.6c1cc2ccc3ccc[n+]4c3c2[n+](c1)[Ru-4]456([n+]7cccc8c7c9[n+]5cccc9cc8)[n+]1cccc2c1c1[n+]6cccc1c1c2nc2ccc(cc2n1)C#N
Name:Ruthenium (bis-(phenanthroline)) (11-cyano-dipyridophenazine)
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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