Inhibitor

Bibliography

Biblio print

Tree Display

AceDB Schema

XML Display

Feedback

Inhibitor Report for: C18-octadecyl-MAG-like-phosphonate

mimics the Monoacylglycerol MAG of identical size (here the Eicosanoic acid (C20:0). The adduct on the active serine lacks the leaving group 4-nitrophenol


General
Type Organophosphate, Analogue of substrate, Lipase inhibitor, pNP, Azido
Chemical_Nomenclature imino-[3-[octadecoxy(oxo)phosphaniumyl]propylimino]azanium
Canonical SMILES CCCCCCCCCCCCCCCCCCO[P+](=O)CCCN=[N+]=N
InChI InChI=1S/C21H44N3O2P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-27(25)21-18-19-23-24-22/h22H,2-21H2,1H3/q+2
InChIKey HBEQQGDNWMLVMF-UHFFFAOYSA-N
Other name(s) 1-{3-[(R)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium ; octadecyl hydrogen (R)-(3-azidopropyl)phosphonate ; 3-[octadecoxy(hydroxy)phosphoryl]propylimino-iminoazanium
________________________________________________________________________________________________
MW|401.57
Formula|C21H44N3O2P+2
CAS_number|
PubChem|119057444
UniChem|HBEQQGDNWMLVMF-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | C18-octadecyl-MAG-like-phosphonate ligand of proteins in family: Monoglyceridelipase_lysophospholip
Stucture | 1 structure: 4ZXF: Crystal structure of a soluble variant of Monoglyceride Lipase (Yju3p) from Saccharomyces Cerevisiae in complex with a substrate analog
Protein | yeast-mgll

References:
Search PubMed for references concerning: C18-octadecyl-MAG-like-phosphonate
    Title: Crystal structure of the Saccharomyces cerevisiae monoglyceride lipase Yju3p
    Aschauer P, Rengachari S, Lichtenegger J, Schittmayer M, Das KM, Mayer N, Breinbauer R, Birner-Gruenberger R, Gruber CC and Oberer M <2 more author(s)>
    Ref: Biochimica & Biophysica Acta, 1861:462, 2016 : PubMed

            

    Title: Purification, crystallization and preliminary X-ray diffraction analysis of a soluble variant of the monoglyceride lipase Yju3p from the yeast Saccharomyces cerevisiae
    Rengachari S, Aschauer P, Sturm C, Oberer M
    Ref: Acta Crystallographica F Struct Biol Commun, 71:243, 2015 : PubMed