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Inhibitor Report for: M4-4NHP

Inhibition by Methyl 4-nitrophenyl hexylphosphonate 6RB0 gives the same adduct (methyl hydrogen (R)-hexylphosphonate) on the active serine as 4-methylumbelliferyl-hexylphosphonate 3ICW


General
Type Organophosphate, pNP
Chemical_Nomenclature 1-[hexyl(methoxy)phosphoryl]oxy-4-nitrobenzene
Canonical SMILES CCCCCCP(=O)(OC)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI InChI=1S/C13H20NO5P/c1-3-4-5-6-11-20(17,18-2)19-13-9-7-12(8-10-13)14(15)16/h7-10H,3-6,11H2,1-2H3
InChIKey RMJQAOXPKANPMM-UHFFFAOYSA-N
Other name(s) Methyl 4-nitrophenyl hexylphosphonate ; MNPHP ; CTK0J3644 ; BIM6001
________________________________________________________________________________________________
MW|301.27
Formula|C13H20NO5P
CAS_number|259827-72-0
PubChem|54274387
UniChem|RMJQAOXPKANPMM-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | M4-4NHP ligand of proteins in family: Hormone-sensitive_lipase_like
Stucture | 1 structure: 6RB0: Structure of ester-hydrolase EH1AB1 from the metagenome of lake Arreo complexed with a derivative of methyl 4-nitrophenyl hexylphosphonate
Protein | 9bact-LAE6

References:
Search PubMed for references concerning: M4-4NHP
    Title: Genetically engineered proteins with two active sites for enhanced biocatalysis and synergistic chemo- and biocatalysis
    Alonso S, Santiago G, Cea-Rama I, Fernandez-Lopez L, Coscolin C, Modregger J, Ressmann A, Martinez-Martinez M, Marrero H and Ferrer M <11 more author(s)>
    Ref: Nature Catalysis, 3:319, 2019 : PubMed

            

    Title: Effects of macroporous resin size on Candida antarctica lipase B adsorption, fraction of active molecules, and catalytic activity for polyester synthesis
    Chen B, Miller EM, Miller L, Maikner JJ, Gross RA
    Ref: Langmuir, 23:1381, 2007 : PubMed

            

    Title: An active-site titration method for lipases
    Rotticci D, Norin T, Hult K, Martinelle M
    Ref: Biochimica & Biophysica Acta, 1483:132, 2000 : PubMed