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BioLiP

PDB CCD ID: A1ICR
Number of entries in BioLiP: 1
Chemical formula: O51 V20
InChI: InChI=1S/51O.20V/q32*-2;19*-1;20*+4
InChIKey: UMGUOOQNHDXOEA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7[O-2]=[V+4]12[O-2][V+4]34(=[O-])[O-2][V+4]56(=[O-])[O-2][V+4]78(=[O-])[O-2]3[V+4]93(=[O-])[O-2]7[V+4]7(=[O-])[O-2][V+4]%10%11(=[O-])[O-2]9[V+4]9(=[O-])([O-2]43)[O-2]1[V+4]1(=[O-])([O-2]9%10)[O-2][V+4]3(=[O-])([O-2]%11)[O-2]4[V+4](=[O-])([O-2]7[V+4]7(=[O-])[O-2]8[V+4]89(=[O-])[O-2]7[V+4]4(=[O-])[O-2]3[V+4]3(=[O-])([O-2]8)[O-2]1[V+4]1(=[O-])[O-2]2[V+4](=[O-])([O-2]5[V+4](=[O-])([O-2]31)[O-2]69)[O-2][V+4](=[O-])(=[O-])([O-2])[O-2])[O-2][V+4](=[O-2])(=[O-2])([O-2])[O-2]
CACTVS 3.385[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O--].[O--].[O--].[O--].[V+4][O--][V+4]1[O--][V+4][O--][V+4]2[O--][V+4]3[O--][V+4][O--][V+4]4([O--][V+4]([O--][V+4])[O--][V+4](=[O--])=[O--])[O--][V+4]5[O--][V+4][O--][V+4][O--][V+4]([O--]3)[O--][V+4]([O--][V+4])([O--]1)[O--][V+4]6[O--][V+4]([O--]5)[O--][V+4]([O--]2)([O--][V+4](=[O--])[O--]6)[O--]4
Name:Polyoxidovanadate complex;
VUF-6884
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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