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

UniChem : BUTLRPVAJSANIT-NSHDSACASA-N

Target

Families : IPG-Phosphonate ligand of proteins in family
Lipase_2

Structure :
1R4Z 1R50

Protein :
bacsu-lip

References (1)

Title : Directed evolution of Bacillus subtilis lipase A by use of enantiomeric phosphonate inhibitors: crystal structures and phage display selection - Droge_2006_Chembiochem_7_149
Author(s) : Droge MJ , Boersma YL , van Pouderoyen G , Vrenken TE , Ruggeberg CJ , Reetz MT , Dijkstra BW , Quax WJ
Ref : Chembiochem , 7 :149 , 2006
Abstract :
PubMedSearch : Droge_2006_Chembiochem_7_149
PubMedID: 16342303
Gene_locus related to this paper: bacsu-lip