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Literature summary for 3.1.1.8 extracted from

  • Rizzo, S.; Cavalli, A.; Ceccarini, L.; Bartolini, M.; Belluti, F.; Bisi, A.; Andrisano, V.; Recanatini, M.; Rampa, A.
    Structure-activity relationships and binding mode in the human acetylcholinesterase active site of pseudo-irreversible inhibitors related to xanthostigmine (2009), ChemMedChem, 4, 670-679.
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
2,3-dimethoxy-6-methyl-9H-xanthen-9-one
-
Homo sapiens
2-(3-methylphenyl)-4H-chromen-4-one
-
Homo sapiens
2-(4-methylphenyl)-4H-chromen-4-one
-
Homo sapiens
3-(3-methylphenyl)-2H-chromen-2-one
-
Homo sapiens
3-(4-methylphenyl)-2H-chromen-2-one
-
Homo sapiens
3-([7-[methyl(3-[[(methylamino)oxy]carbonyl]benzyl)amino]heptyl]oxy)-9H-xanthen-9-one
-
Homo sapiens
3-methoxy-6-methyl-9H-xanthen-9-one
-
Homo sapiens
3-methyl-2-(4-methylphenyl)-4H-chromen-4-one
-
Homo sapiens
6,7-dimethoxy-2-(3-methylphenyl)-4H-chromen-4-one
-
Homo sapiens
6,7-dimethoxy-3-(3-methylphenyl)-2H-chromen-2-one
-
Homo sapiens
6,7-dimethoxy-3-(4-methylphenyl)-2H-chromen-2-one
-
Homo sapiens
6-methoxy-2-(3-methylphenyl)-4H-chromen-4-one
-
Homo sapiens
6-methoxy-2-(4-methylphenyl)-4H-chromen-4-one
-
Homo sapiens
6-methoxy-3-(3-methylphenyl)-2H-chromen-2-one
-
Homo sapiens
6-methoxy-3-(4-methylphenyl)-2H-chromen-2-one
-
Homo sapiens
7-methoxy-2-(3-methylphenyl)-4H-chromen-4-one
-
Homo sapiens
7-methoxy-2-(4-methylphenyl)-4H-chromen-4-one
-
Homo sapiens
7-methoxy-3-(3-methylphenyl)-2H-chromen-2-one
-
Homo sapiens
7-methoxy-3-(4-methylphenyl)-2H-chromen-2-one
-
Homo sapiens
AP2238
-
Homo sapiens
donepezil
-
Homo sapiens
additional information inhibitor structure-activity relationships, simulation of pseudo-irreversible BuChE covalent inhibitors, overview Homo sapiens
N-methyl-N-(3-carbamoyloxyphenyl)methyl-amino inhibitor
-
Homo sapiens
phenylcoumarin
-
Homo sapiens
xanthostigmine three-dimensional model of the quaternary complex between BuChE and xanthostigmine Homo sapiens

Localization

Localization Comment Organism GeneOntology No. Textmining
extracellular
-
Homo sapiens
-
-

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
-
-

Source Tissue

Source Tissue Comment Organism Textmining
commercial preparation recombinant serum enzyme Homo sapiens
-
serum
-
Homo sapiens
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
butyrylthiocholine iodide + H2O detection with 5,5'-dithio-bis-2-nitrobenzoic acid, i.e. DTNB Homo sapiens butyrate + thiocholine iodide
-
?

Synonyms

Synonyms Comment Organism
BuChE
-
Homo sapiens

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
37
-
assay at Homo sapiens

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
8
-
assay at Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0000165
-
pH 8.0, 37°C Homo sapiens 3-([7-[methyl(3-[[(methylamino)oxy]carbonyl]benzyl)amino]heptyl]oxy)-9H-xanthen-9-one
0.0000383
-
pH 8.0, 37°C Homo sapiens 6-methoxy-3-(4-methylphenyl)-2H-chromen-2-one
0.0000415
-
pH 8.0, 37°C Homo sapiens 7-methoxy-3-(3-methylphenyl)-2H-chromen-2-one
0.0000448
-
pH 8.0, 37°C Homo sapiens 6,7-dimethoxy-3-(3-methylphenyl)-2H-chromen-2-one
0.000048
-
-
Homo sapiens xanthostigmine
0.0000574
-
pH 8.0, 37°C Homo sapiens 7-methoxy-2-(3-methylphenyl)-4H-chromen-4-one
0.0000594
-
pH 8.0, 37°C Homo sapiens 3-(4-methylphenyl)-2H-chromen-2-one
0.0000637
-
pH 8.0, 37°C Homo sapiens 2-(3-methylphenyl)-4H-chromen-4-one
0.0000652
-
pH 8.0, 37°C Homo sapiens 6-methoxy-2-(3-methylphenyl)-4H-chromen-4-one
0.0000702
-
pH 8.0, 37°C Homo sapiens 2-(4-methylphenyl)-4H-chromen-4-one
0.000072
-
pH 8.0, 37°C Homo sapiens 6,7-dimethoxy-2-(3-methylphenyl)-4H-chromen-4-one
0.0000723
-
pH 8.0, 37°C Homo sapiens 7-methoxy-3-(4-methylphenyl)-2H-chromen-2-one
0.0000762
-
pH 8.0, 37°C Homo sapiens 3-methoxy-6-methyl-9H-xanthen-9-one
0.0000793
-
pH 8.0, 37°C Homo sapiens 3-methyl-2-(4-methylphenyl)-4H-chromen-4-one
0.0000807
-
pH 8.0, 37°C Homo sapiens 3-(3-methylphenyl)-2H-chromen-2-one
0.0000815
-
pH 8.0, 37°C Homo sapiens 6-methoxy-3-(3-methylphenyl)-2H-chromen-2-one
0.000091
-
pH 8.0, 37°C Homo sapiens 6-methoxy-2-(4-methylphenyl)-4H-chromen-4-one
0.000107
-
pH 8.0, 37°C Homo sapiens 7-methoxy-2-(4-methylphenyl)-4H-chromen-4-one
0.000113
-
pH 8.0, 37°C Homo sapiens 2,3-dimethoxy-6-methyl-9H-xanthen-9-one
0.000295
-
pH 8.0, 37°C Homo sapiens 6,7-dimethoxy-3-(4-methylphenyl)-2H-chromen-2-one