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Literature summary 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

EC Number Inhibitors Comment Organism Structure
3.1.1.7 2,3-dimethoxy-6-methyl-9H-xanthen-9-one
-
 Homo sapiens
3.1.1.7 2-(3-methylphenyl)-4H-chromen-4-one
-
 Homo sapiens
3.1.1.7 2-(4-methylphenyl)-4H-chromen-4-one
-
 Homo sapiens
3.1.1.7 3-(3-methylphenyl)-2H-chromen-2-one
-
 Homo sapiens
3.1.1.7 3-(4-methylphenyl)-2H-chromen-2-one
-
 Homo sapiens
3.1.1.7 3-([7-[methyl(3-[[(methylamino)oxy]carbonyl]benzyl)amino]heptyl]oxy)-9H-xanthen-9-one
-
 Homo sapiens
3.1.1.7 3-methoxy-6-methyl-9H-xanthen-9-one
-
 Homo sapiens
3.1.1.7 3-methyl-2-(4-methylphenyl)-4H-chromen-4-one
-
 Homo sapiens
3.1.1.7 6,7-dimethoxy-2-(3-methylphenyl)-4H-chromen-4-one
-
 Homo sapiens
3.1.1.7 6,7-dimethoxy-3-(3-methylphenyl)-2H-chromen-2-one
-
 Homo sapiens
3.1.1.7 6,7-dimethoxy-3-(4-methylphenyl)-2H-chromen-2-one
-
 Homo sapiens
3.1.1.7 6-methoxy-2-(3-methylphenyl)-4H-chromen-4-one
-
 Homo sapiens
3.1.1.7 6-methoxy-2-(4-methylphenyl)-4H-chromen-4-one
-
 Homo sapiens
3.1.1.7 6-methoxy-3-(3-methylphenyl)-2H-chromen-2-one
-
 Homo sapiens
3.1.1.7 6-methoxy-3-(4-methylphenyl)-2H-chromen-2-one
-
 Homo sapiens
3.1.1.7 7-methoxy-2-(3-methylphenyl)-4H-chromen-4-one
-
 Homo sapiens
3.1.1.7 7-methoxy-2-(4-methylphenyl)-4H-chromen-4-one
-
 Homo sapiens
3.1.1.7 7-methoxy-3-(3-methylphenyl)-2H-chromen-2-one
-
 Homo sapiens
3.1.1.7 7-methoxy-3-(4-methylphenyl)-2H-chromen-2-one
-
 Homo sapiens
3.1.1.7 AP2238
-
 Homo sapiens
3.1.1.7 donepezil
-
 Homo sapiens
3.1.1.7 additional information inhibitor structure-activity relationships, simulation of pseudo-irreversible AChE covalent inhibitors, overview Homo sapiens
3.1.1.7 N-methyl-N-(3-carbamoyloxyphenyl)methyl-amino inhibitor
-
 Homo sapiens
3.1.1.7 phenylcoumarin
-
 Homo sapiens
3.1.1.7 xanthostigmine three-dimensional model of the quaternary complex between AChE and xanthostigmine Homo sapiens
3.1.1.8 2,3-dimethoxy-6-methyl-9H-xanthen-9-one
-
 Homo sapiens
3.1.1.8 2-(3-methylphenyl)-4H-chromen-4-one
-
 Homo sapiens
3.1.1.8 2-(4-methylphenyl)-4H-chromen-4-one
-
 Homo sapiens
3.1.1.8 3-(3-methylphenyl)-2H-chromen-2-one
-
 Homo sapiens
3.1.1.8 3-(4-methylphenyl)-2H-chromen-2-one
-
 Homo sapiens
3.1.1.8 3-([7-[methyl(3-[[(methylamino)oxy]carbonyl]benzyl)amino]heptyl]oxy)-9H-xanthen-9-one
-
 Homo sapiens
3.1.1.8 3-methoxy-6-methyl-9H-xanthen-9-one
-
 Homo sapiens
3.1.1.8 3-methyl-2-(4-methylphenyl)-4H-chromen-4-one
-
 Homo sapiens
3.1.1.8 6,7-dimethoxy-2-(3-methylphenyl)-4H-chromen-4-one
-
 Homo sapiens
3.1.1.8 6,7-dimethoxy-3-(3-methylphenyl)-2H-chromen-2-one
-
 Homo sapiens
3.1.1.8 6,7-dimethoxy-3-(4-methylphenyl)-2H-chromen-2-one
-
 Homo sapiens
3.1.1.8 6-methoxy-2-(3-methylphenyl)-4H-chromen-4-one
-
 Homo sapiens
3.1.1.8 6-methoxy-2-(4-methylphenyl)-4H-chromen-4-one
-
 Homo sapiens
3.1.1.8 6-methoxy-3-(3-methylphenyl)-2H-chromen-2-one
-
 Homo sapiens
3.1.1.8 6-methoxy-3-(4-methylphenyl)-2H-chromen-2-one
-
 Homo sapiens
3.1.1.8 7-methoxy-2-(3-methylphenyl)-4H-chromen-4-one
-
 Homo sapiens
3.1.1.8 7-methoxy-2-(4-methylphenyl)-4H-chromen-4-one
-
 Homo sapiens
3.1.1.8 7-methoxy-3-(3-methylphenyl)-2H-chromen-2-one
-
 Homo sapiens
3.1.1.8 7-methoxy-3-(4-methylphenyl)-2H-chromen-2-one
-
 Homo sapiens
3.1.1.8 AP2238
-
 Homo sapiens
3.1.1.8 donepezil
-
 Homo sapiens
3.1.1.8 additional information inhibitor structure-activity relationships, simulation of pseudo-irreversible BuChE covalent inhibitors, overview Homo sapiens
3.1.1.8 N-methyl-N-(3-carbamoyloxyphenyl)methyl-amino inhibitor
-
 Homo sapiens
3.1.1.8 phenylcoumarin
-
 Homo sapiens
3.1.1.8 xanthostigmine three-dimensional model of the quaternary complex between BuChE and xanthostigmine Homo sapiens

Localization

EC Number Localization Comment Organism GeneOntology No. Textmining
3.1.1.7 extracellular
-
 Homo sapiens
-
-
3.1.1.8 extracellular
-
 Homo sapiens
-
-

Organism

EC Number Organism UniProt Comment Textmining
3.1.1.7 Homo sapiens
-
-
-
3.1.1.8 Homo sapiens
-
-
-

Source Tissue

EC Number Source Tissue Comment Organism Textmining
3.1.1.7 commercial preparation recombinant serum enzyme Homo sapiens
-
3.1.1.7 serum
-
 Homo sapiens
-
3.1.1.8 commercial preparation recombinant serum enzyme Homo sapiens
-
3.1.1.8 serum
-
 Homo sapiens
-

Substrates and Products (Substrate)

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

Synonyms

EC Number Synonyms Comment Organism
3.1.1.7 AChE
-
 Homo sapiens
3.1.1.8 BuChE
-
 Homo sapiens

Temperature Optimum [°C]

EC Number Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
3.1.1.7 37
-
 assay at Homo sapiens
3.1.1.8 37
-
 assay at Homo sapiens

pH Optimum

EC Number pH Optimum Minimum pH Optimum Maximum Comment Organism
3.1.1.7 8
-
 assay at Homo sapiens
3.1.1.8 8
-
 assay at Homo sapiens

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
3.1.1.7 0.0000003
-
-
 Homo sapiens xanthostigmine
3.1.1.7 0.00000032
-
 pH 8.0, 37°C Homo sapiens 3-([7-[methyl(3-[[(methylamino)oxy]carbonyl]benzyl)amino]heptyl]oxy)-9H-xanthen-9-one
3.1.1.7 0.00000051
-
 pH 8.0, 37°C Homo sapiens 7-methoxy-2-(3-methylphenyl)-4H-chromen-4-one
3.1.1.7 0.00000052
-
 pH 8.0, 37°C Homo sapiens 2-(3-methylphenyl)-4H-chromen-4-one
3.1.1.7 0.00000063
-
 pH 8.0, 37°C Homo sapiens 6-methoxy-2-(4-methylphenyl)-4H-chromen-4-one
3.1.1.7 0.00000072
-
 pH 8.0, 37°C Homo sapiens 7-methoxy-2-(4-methylphenyl)-4H-chromen-4-one
3.1.1.7 0.00000073
-
 pH 8.0, 37°C Homo sapiens 2-(4-methylphenyl)-4H-chromen-4-one
3.1.1.7 0.00000076
-
 pH 8.0, 37°C Homo sapiens 6-methoxy-2-(3-methylphenyl)-4H-chromen-4-one
3.1.1.7 0.00000085
-
 pH 8.0, 37°C Homo sapiens 3-methoxy-6-methyl-9H-xanthen-9-one
3.1.1.7 0.0000012
-
 pH 8.0, 37°C Homo sapiens 3-(4-methylphenyl)-2H-chromen-2-one
3.1.1.7 0.00000131
-
 pH 8.0, 37°C Homo sapiens 6,7-dimethoxy-2-(3-methylphenyl)-4H-chromen-4-one
3.1.1.7 0.00000156
-
 pH 8.0, 37°C Homo sapiens 2,3-dimethoxy-6-methyl-9H-xanthen-9-one
3.1.1.7 0.00000176
-
 pH 8.0, 37°C Homo sapiens 3-methyl-2-(4-methylphenyl)-4H-chromen-4-one
3.1.1.7 0.0000027
-
 pH 8.0, 37°C Homo sapiens 7-methoxy-3-(3-methylphenyl)-2H-chromen-2-one
3.1.1.7 0.00000316
-
 pH 8.0, 37°C Homo sapiens 6,7-dimethoxy-3-(3-methylphenyl)-2H-chromen-2-one
3.1.1.7 0.0000036
-
 pH 8.0, 37°C Homo sapiens 3-(3-methylphenyl)-2H-chromen-2-one
3.1.1.7 0.000004
-
 pH 8.0, 37°C Homo sapiens 6-methoxy-3-(4-methylphenyl)-2H-chromen-2-one
3.1.1.7 0.0000056
-
 pH 8.0, 37°C Homo sapiens 7-methoxy-3-(4-methylphenyl)-2H-chromen-2-one
3.1.1.7 0.000006
-
 pH 8.0, 37°C Homo sapiens 6-methoxy-3-(3-methylphenyl)-2H-chromen-2-one
3.1.1.7 0.0000109
-
 pH 8.0, 37°C Homo sapiens 6,7-dimethoxy-3-(4-methylphenyl)-2H-chromen-2-one
3.1.1.8 0.0000165
-
 pH 8.0, 37°C Homo sapiens 3-([7-[methyl(3-[[(methylamino)oxy]carbonyl]benzyl)amino]heptyl]oxy)-9H-xanthen-9-one
3.1.1.8 0.0000383
-
 pH 8.0, 37°C Homo sapiens 6-methoxy-3-(4-methylphenyl)-2H-chromen-2-one
3.1.1.8 0.0000415
-
 pH 8.0, 37°C Homo sapiens 7-methoxy-3-(3-methylphenyl)-2H-chromen-2-one
3.1.1.8 0.0000448
-
 pH 8.0, 37°C Homo sapiens 6,7-dimethoxy-3-(3-methylphenyl)-2H-chromen-2-one
3.1.1.8 0.000048
-
-
 Homo sapiens xanthostigmine
3.1.1.8 0.0000574
-
 pH 8.0, 37°C Homo sapiens 7-methoxy-2-(3-methylphenyl)-4H-chromen-4-one
3.1.1.8 0.0000594
-
 pH 8.0, 37°C Homo sapiens 3-(4-methylphenyl)-2H-chromen-2-one
3.1.1.8 0.0000637
-
 pH 8.0, 37°C Homo sapiens 2-(3-methylphenyl)-4H-chromen-4-one
3.1.1.8 0.0000652
-
 pH 8.0, 37°C Homo sapiens 6-methoxy-2-(3-methylphenyl)-4H-chromen-4-one
3.1.1.8 0.0000702
-
 pH 8.0, 37°C Homo sapiens 2-(4-methylphenyl)-4H-chromen-4-one
3.1.1.8 0.000072
-
 pH 8.0, 37°C Homo sapiens 6,7-dimethoxy-2-(3-methylphenyl)-4H-chromen-4-one
3.1.1.8 0.0000723
-
 pH 8.0, 37°C Homo sapiens 7-methoxy-3-(4-methylphenyl)-2H-chromen-2-one
3.1.1.8 0.0000762
-
 pH 8.0, 37°C Homo sapiens 3-methoxy-6-methyl-9H-xanthen-9-one
3.1.1.8 0.0000793
-
 pH 8.0, 37°C Homo sapiens 3-methyl-2-(4-methylphenyl)-4H-chromen-4-one
3.1.1.8 0.0000807
-
 pH 8.0, 37°C Homo sapiens 3-(3-methylphenyl)-2H-chromen-2-one
3.1.1.8 0.0000815
-
 pH 8.0, 37°C Homo sapiens 6-methoxy-3-(3-methylphenyl)-2H-chromen-2-one
3.1.1.8 0.000091
-
 pH 8.0, 37°C Homo sapiens 6-methoxy-2-(4-methylphenyl)-4H-chromen-4-one
3.1.1.8 0.000107
-
 pH 8.0, 37°C Homo sapiens 7-methoxy-2-(4-methylphenyl)-4H-chromen-4-one
3.1.1.8 0.000113
-
 pH 8.0, 37°C Homo sapiens 2,3-dimethoxy-6-methyl-9H-xanthen-9-one
3.1.1.8 0.000295
-
 pH 8.0, 37°C Homo sapiens 6,7-dimethoxy-3-(4-methylphenyl)-2H-chromen-2-one