BioLiP

PDB

BioLiP

PDB CCD ID:

IMF

Number of entries in BioLiP:

Chemical formula:

C12 H20 Cu N8 O2

InChI:

InChI=1S/4C3H4N2.Cu.2H2O/c4*1-2-5-3-4-1;;;/h4*1-3H,(H,4,5);;2*1H2/q;;;;+1;;

InChIKey:

HBZDUNQUBNOQIC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1=C[N](=CN1)[Cu+]([N]2=CNC=C2)([N]3=CNC=C3)([N]4=CNC=C4)([OH2])[OH2]
CACTVS 3.385	O.O.[Cu+].[nH]1ccnc1.[nH]2ccnc2.[nH]3ccnc3.[nH]4ccnc4

Name:

TETRA(IMIDAZOLE)DIAQUACOPPER (I)

DrugBank:

DB04231

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).