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BioLiP

PDB CCD ID: 0K8
Number of entries in BioLiP: 0
Chemical formula: C50 H28 N8 O2 Ru
InChI: InChI=1S/C26H12N4O2.2C12H8N2.Ru/c31-25-13-5-1-2-6-14(13)26(32)19-15(25)9-10-18-24(19)30-23-17-8-4-12-28-21(17)20-16(22(23)29-18)7-3-11-27-20;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-12H;2*1-8H;/q;;;+2
InChIKey: LEJPQQFNZLHEQD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C(=O)c3ccc4c(c3C2=O)nc5c6c7c8c(c5n4)C=CC=[N]8[Ru+2]91([N]7=CC=C6)([N]2=CC=Cc3c2c2c(cc3)C=CC=[N]92)[N]2=CC=Cc3c2c2c(cc3)C=CC=[N]12
CACTVS 3.385[Ru++].O=C1c2ccccc2C(=O)c3c1ccc4nc5c6cccnc6c7ncccc7c5nc34.c8cnc9c(c8)ccc%10cccnc9%10.c%11cnc%12c(c%11)ccc%13cccnc%12%13
Name:Ruthenium bis-(phenanthroline) 12,17-dihydro-naphthodipyridophenazine-12,17-dione;
Ruthenium polypridyl complex
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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