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Inhibitor Report for: CHMP-thiocholine

can be synthetized as (Sp) or (P-) and (Rp) or (P+) stereoisomers


General
Type Organophosphate, Trimethylammonium, Sulfur Compound
Chemical_Nomenclature 2-(cycloheptyloxy-methyl-oxidophosphaniumyl)sulfanylethyl-trimethylazanium
Canonical SMILES C1CCC(CCC1)O[P](C)(=O)SCC[N+](C)(C)C
InChI InChI=1S/C13H29NO2PS/c1-14(2,3)11-12-18-17(4,15)16-13-9-7-5-6-8-10-13/h13H,5-12H2,1-4H3/q+1
InChIKey GLKKOOIXGTWDCJ-UHFFFAOYSA-N
Other name(s) Cycloheptyl methylphosphonyl thiocholine
________________________________________________________________________________________________
MW|294.41
Formula|C13H29NO2PS
CAS_number|
PubChem|101255751
UniChem|GLKKOOIXGTWDCJ-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | CHMP-thiocholine ligand of proteins in family: ACHE

References:
Search PubMed for references concerning: CHMP-thiocholine
    Title: Aspartate 74 as a primary determinant in acetylcholinesterase governing specificity to cationic organophosphonates
    Hosea NA, Radic Z, Tsigelny I, Berman HA, Quinn DM, Taylor P
    Ref: Biochemistry, 35:10995, 1996 : PubMed

            

    Title: Chiral reactions of acetylcholinesterase probed with enantiomeric methylphosphonothioates. Noncovalent determinants of enzyme chirality [published erratum appears in J Biol Chem 1989 Nov 25;264(33):20154]
    Berman HA, Leonard K
    Ref: Journal of Biological Chemistry, 264:3942, 1989 : PubMed

            

    Title: Chiral nature of covalent methylphosphonyl conjugates of acetylcholinesterase
    Berman HA, Decker MM
    Ref: Journal of Biological Chemistry, 264:3951, 1989 : PubMed