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BioLiP

PDB CCD ID: IME
Number of entries in BioLiP: 3
Chemical formula: C12 H16 Cu N8 O2
InChI: InChI=1S/4C3H3N2.Cu.2H2O/c4*1-2-5-3-4-1;;;/h4*1-3H;;2*1H2/q4*-1;+4;;
InChIKey: QHMVDLPUUJNKGZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1cn(cn1)[Cu](n2ccnc2)(n3ccnc3)(n4ccnc4)([OH2])[OH2]
CACTVS 3.370O|[Cu](|O)(n1ccnc1)(n2ccnc2)(n3ccnc3)n4ccnc4
ACDLabs 12.01n1ccn(c1)[Cu](n2ccnc2)(O)(O)(n3ccnc3)n4ccnc4
Name:TETRA(IMIDAZOLE)DIAQUACOPPER (II)
DrugBank: DB03840
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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