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Inhibitor Report for: IPG-Phosphonate


General
Type: Organophosphate
Chemical_Nomenclature: [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-hex-5-enylphosphinic acid
Canonical SMILES: CC1(OCC(O1)COP(=O)(CCCCC=C)O)C
InChI: InChI=1S/C12H23O5P/c1-4-5-6-7-8-18(13,14)16-10-11-9-15-12(2,3)17-11/h4,11H,1,5-10H2,2-3H3,(H,13,14)/t11-/m0/s1
InChIKey: BUTLRPVAJSANIT-NSHDSACASA-N
Other name(s): [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen hex-5-enylphsphonate ; AC1NRD0Z ; DB08475 ; [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy(hex-5-en-1-yl)phosphinic acid
MW: 278.28
Formula: C12H23O5P
CAS_number:
PubChem: 5289293
IUPHAR:
Wikipedia:

Target families
IPG-Phosphonate ligand of proteins in family: Lipase_2

Stucture of targets
2 structures: 1R4Z, 1R50

Protein target
Enzyme: bacsu-lip

References
Search PubMed for references concerning: IPG-Phosphonate
    Title: Directed evolution of Bacillus subtilis lipase A by use of enantiomeric phosphonate inhibitors: crystal structures and phage display selection
    Droge MJ, Boersma YL, van Pouderoyen G, Vrenken TE, Ruggeberg CJ, Reetz MT, Dijkstra BW, Quax WJ
    Ref: Chembiochem, 7:149, 2006 : PubMed