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BioLiP

PDB CCD ID: VHL
Number of entries in BioLiP: 4
Chemical formula: C9 H6 N4 O3 Re
InChI: InChI=1S/2C3H3N2.3CO.Re/c2*1-2-5-3-4-1;3*1-2;/h2*1-3H;;;;/q2*-1;;;;+3
InChIKey: MWUHNOZKPZGOSW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re+](n1ccnc1)n2ccnc2
OpenEye OEToolkits 2.0.7c1cn(cn1)[Re+]([C-]#[O+])([C-]#[O+])([C-]#[O+])n2ccnc2
Name:Tricarbonyl di(imidazole) rhenium(I);
di(imidazol-1-yl)-tris(oxidaniumylidynemethyl)rhenium(1+)
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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