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BioLiP

PDB CCD ID: KHN
Number of entries in BioLiP: 0
Chemical formula: C42 H26 N9 O2 Ru
InChI: InChI=1S/C18H10N5O2.2C12H8N2.Ru/c24-23(25)13-7-1-6-12-18(13)22-17-11-5-3-9-20-15(11)14-10(16(17)21-12)4-2-8-19-14;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-9,24H;2*1-8H;
InChIKey: RRLMHIVRUDSXHL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385[Ru].[OH-][N+](=O)c1cccc2nc3c4cccnc4c5ncccc5c3nc12.c6cnc7c(c6)ccc8cccnc78.c9cnc%10c(c9)ccc%11cccnc%10%11
OpenEye OEToolkits 2.0.7c1cc2c(c(c1)[N+](=O)[OH-])nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=C1C(=CC=C9)C=CC2=CC=C[N]7=C21)[N]1=C2C(=CC=C1)C=CC1=CC=C[N]8=C12
Name:Ruthenium (bis-(phenanthroline)) (10-nitro-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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