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BioLiP

PDB CCD ID: ZWH
Number of entries in BioLiP: 1
Chemical formula: C23 H28 N2 O10 Ru2
InChI: InChI=1S/C13H12N2.2C4H6O4.C2H4O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2*5-3(6)1-2-4(7)8;1-2(3)4;;/h1-10H,11H2;2*3H,1-2H2,(H,7,8);2H,1H3;;/q4*-2;2*+4
InChIKey: GPMJGBXYFGQHON-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[CH]1O[Ru]23O[CH](CCC(O)=O)O[Ru](O1)(O[CH](CCC(O)=O)O2)N(CN3c4ccccc4)c5ccccc5
CACTVS 3.385C[C@H]1O[Ru]23O[C@H](CCC(O)=O)O[Ru](O1)(O[C@@H](CCC(O)=O)O2)N(CN3c4ccccc4)c5ccccc5
OpenEye OEToolkits 2.0.7CC1O[Ru]234N(CN([Ru]2(O1)(OC(O3)CCC(=O)O)OC(O4)CCC(=O)O)c5ccccc5)c6ccccc6
Name:[Ru2Cl(N,N'-bis(4-fluorophenyl)formamidinate)(1,1-ethanediol)(succinic acid)2]
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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