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BioLiP

PDB CCD ID: YWV
Number of entries in BioLiP: 1
Chemical formula: C14 H14 N2 O2 Ru2
InChI: InChI=1S/C13H12N2.CH2O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2-1-3;;/h1-10H,11H2;1H2;;/q2*-2;2*+2
InChIKey: CVNAOZKWKIHKRL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)N2CN([Ru]3[Ru]2OCO3)c4ccccc4
CACTVS 3.385C1O[Ru]N(CN([Ru]O1)c2ccccc2)c3ccccc3
Name:[Ru2(DPhF)(Formate)]
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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