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Inhibitor Report for: 6RKY-K7K-phosphodiester

covalent inhibitor used to transform an esterase into an enantioselective catecholase through bioconjugation of this versatile metal-chelating inhibitor. The symmetry of the molecule allows nucleophilic enzymatic hydrolysis that can lead to only one hydrolytic product that retains the bipyridine moiety within the active site, compared to 6RKY-K7K. The compound in PDB is ZK8


General
Type Organophosphate, Pyridine, Metal ion chelator
Chemical_Nomenclature 6-hexyl-[1,3,2]dioxaphosphepino[5,4-b:6,7-b']dipyridine 6-oxide
Canonical SMILES C13=CC=CN=C1C2=NC=CC=C2O[P](CCCCCC)(=O)O3
InChI InChI=1S/C16H19N2O3P/c1-2-3-4-5-12-22(19)20-13-8-6-10-17-15(13)16-14(21-22)9-7-11-18-16/h6-11H,2-5,12H2,1H3
InChIKey XGLVQRVNSLHFKZ-UHFFFAOYSA-N
Other name(s)
________________________________________________________________________________________________
MW|
Formula|C16H19N2O3P
CAS_number|
PubChem|
UniChem|XGLVQRVNSLHFKZ-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | 6RKY-K7K-phosphodiester ligand of proteins in family: Hormone-sensitive_lipase_like
Protein | 9zzzz-a0a2k8jn75

References:
Search PubMed for references concerning: 6RKY-K7K-phosphodiester
    Title: Transforming an esterase into an enantioselective catecholase through bioconjugation of a versatile metal-chelating inhibitor
    Fernandez-Lopez L, Cea-Rama I, Alvarez-Malmagro J, Ressmann AK, Gonzalez-Alfonso JL, Coscolin C, Shahgaldian P, Plou FJ, Modregger J and Ferrer M <2 more author(s)>
    Ref: Chem Commun (Camb), :, 2023 : PubMed