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BioLiP

PDB CCD ID: ZXE
Number of entries in BioLiP: 1
Chemical formula: C16 H14 N2 O8 Ru2
InChI: InChI=1S/C13H12N2.2CH2O3.CH2O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2*2-1(3)4;2-1-3;;/h1-10H,11H2;2*(H2,2,3,4);1H2;;/q-2;;;-2;2*+4/p-4
InChIKey: VXNQBXDONZSVPB-UHFFFAOYSA-J
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)N2CN([Ru]345[Ru]2(OCO3)(OC(=O)O4)OC(=O)O5)c6ccccc6
CACTVS 3.385O=C1O[Ru]23OCO[Ru](O1)(OC(=O)O2)N(CN3c4ccccc4)c5ccccc5
Name:Ru2(DPhF)(CO3)2(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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