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BioLiP

PDB CCD ID: ZJK
Number of entries in BioLiP: 2
Chemical formula: C27 H27 N4 O3 Ru2
InChI: InChI=1S/2C13H12N2.CH2O2.H2O.2Ru/c2*1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2-1-3;;;/h2*1-10H,11H2;1H2;1H2;;/q3*-2;;+3;+4/p-1
InChIKey: CVAAOOFKUNUXPY-UHFFFAOYSA-M
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)N2CN([Ru]34([Ru]2(N(CN3c5ccccc5)c6ccccc6)OCO4)O)c7ccccc7
CACTVS 3.385O[Ru]12OCO[Ru](N(CN1c3ccccc3)c4ccccc4)N(CN2c5ccccc5)c6ccccc6
Name:1-oxidanyl-6,8,9,11-tetraphenyl-2,4-dioxa-6,8,9,11-tetraza-1$l^{5},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane
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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