Inhibitors | Comment | Organism | Structure |
---|---|---|---|
galantamine | - |
Homo sapiens | |
additional information | ferrocene-based anilides: synthesis, structural characterization and inhibition of butyrylcholinesterase, overview. Ferrocene derivatives with the conformation of meta amide substituents engage in intermolecular H-bonding, which stabilizes the meta derivatives over their para analogues. The H-bonding takes place when the conformation of the ferrocene changes by rotation around the C-N bond, favoring interactions between two molecules in adjacent layers in the solid state. Limited effects of the H-bonding in the presence and absence of water in the active site of butyrylcholinesterase, supporting the importance of hydrophobicity for inhibitors of the enzyme. Molecular docking | Homo sapiens | |
N-(3-ferrocenylphenyl)-2-chlorobenzamide | - |
Homo sapiens | |
N-(3-ferrocenylphenyl)-2-fluorobenzamide | - |
Homo sapiens | |
N-(3-ferrocenylphenyl)-2-methoxybenzamide | - |
Homo sapiens | |
N-(3-ferrocenylphenyl)-2-methylbenzamide | - |
Homo sapiens | |
N-(3-ferrocenylphenyl)-3-chlorobenzamide | - |
Homo sapiens | |
N-(3-ferrocenylphenyl)-3-fluorobenzamide | - |
Homo sapiens | |
N-(3-ferrocenylphenyl)-3-methoxybenzamide | - |
Homo sapiens | |
N-(3-ferrocenylphenyl)-3-methylbenzamide | - |
Homo sapiens | |
N-(3-ferrocenylphenyl)-4-chlorobenzamide | - |
Homo sapiens | |
N-(3-ferrocenylphenyl)-4-fluorobenzamide | - |
Homo sapiens | |
N-(3-ferrocenylphenyl)-4-methoxybenzamide | - |
Homo sapiens | |
N-(3-ferrocenylphenyl)-4-methylbenzamide | - |
Homo sapiens | |
N-(3-ferrocenylphenyl)benzamide | - |
Homo sapiens | |
N-(4-ferrocenylphenyl)-2-chlorobenzamide | - |
Homo sapiens | |
N-(4-ferrocenylphenyl)-2-fluorobenzamide | - |
Homo sapiens | |
N-(4-ferrocenylphenyl)-2-methoxybenzamide | - |
Homo sapiens | |
N-(4-ferrocenylphenyl)-2-methylbenzamide | - |
Homo sapiens | |
N-(4-ferrocenylphenyl)-3-chlorobenzamide | - |
Homo sapiens | |
N-(4-ferrocenylphenyl)-3-fluorobenzamide | - |
Homo sapiens | |
N-(4-ferrocenylphenyl)-3-methoxybenzamide | - |
Homo sapiens | |
N-(4-ferrocenylphenyl)-3-methylbenzamide | - |
Homo sapiens | |
N-(4-ferrocenylphenyl)-4-chlorobenzamide | - |
Homo sapiens | |
N-(4-ferrocenylphenyl)-4-fluorobenzamide | - |
Homo sapiens | |
N-(4-ferrocenylphenyl)-4-methoxybenzamide | - |
Homo sapiens | |
N-(4-ferrocenylphenyl)-4-methylbenzamide | - |
Homo sapiens | |
N-(4-ferrocenylphenyl)benzamide | - |
Homo sapiens |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
butyrylcholine + H2O | Homo sapiens | - |
choline + butyrate | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | P06276 | - |
- |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
butyrylcholine + H2O | - |
Homo sapiens | choline + butyrate | - |
? | |
butyrylthiocholine + H2O | - |
Homo sapiens | thiocholine + butyrate | - |
? | |
additional information | butyrylthiocholine iodide substrate is incubated with the enzyme and the reaction is terminated by the addition of Ellman's reagent (5,5'-dithiobis(2-nitrobenzoic acid), DTNB), at which point the change in the absorbance at 412 nm is spectroscopically measured | Homo sapiens | ? | - |
? |
Synonyms | Comment | Organism |
---|---|---|
BChE | - |
Homo sapiens |
butyrylcholinesterase | - |
Homo sapiens |
Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
---|---|---|---|
37 | - |
assay at | Homo sapiens |
pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
---|---|---|---|
7.6 | - |
assay at | Homo sapiens |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
additional information | - |
additional information | inhibition kinetics | Homo sapiens |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.008 | - |
pH 7.6, 37°C | Homo sapiens | galantamine | |
0.009 | - |
pH 7.6, 37°C | Homo sapiens | N-(3-ferrocenylphenyl)-2-fluorobenzamide | |
0.009 | - |
pH 7.6, 37°C | Homo sapiens | N-(3-ferrocenylphenyl)-3-methoxybenzamide | |
0.01 | - |
pH 7.6, 37°C | Homo sapiens | N-(3-ferrocenylphenyl)-4-methylbenzamide | |
0.012 | - |
pH 7.6, 37°C | Homo sapiens | N-(3-ferrocenylphenyl)-3-methylbenzamide | |
0.013 | - |
pH 7.6, 37°C | Homo sapiens | N-(3-ferrocenylphenyl)-2-methylbenzamide | |
0.013 | - |
pH 7.6, 37°C | Homo sapiens | N-(3-ferrocenylphenyl)-4-methoxybenzamide | |
0.013 | - |
pH 7.6, 37°C | Homo sapiens | N-(3-ferrocenylphenyl)benzamide | |
0.014 | - |
pH 7.6, 37°C | Homo sapiens | N-(3-ferrocenylphenyl)-2-methoxybenzamide | |
0.014 | - |
pH 7.6, 37°C | Homo sapiens | N-(3-ferrocenylphenyl)-3-fluorobenzamide | |
0.014 | - |
pH 7.6, 37°C | Homo sapiens | N-(3-ferrocenylphenyl)-4-chlorobenzamide | |
0.014 | - |
pH 7.6, 37°C | Homo sapiens | N-(3-ferrocenylphenyl)-4-fluorobenzamide | |
0.015 | - |
pH 7.6, 37°C | Homo sapiens | N-(3-ferrocenylphenyl)-2-chlorobenzamide | |
0.015 | - |
pH 7.6, 37°C | Homo sapiens | N-(3-ferrocenylphenyl)-3-chlorobenzamide | |
0.015 | - |
pH 7.6, 37°C | Homo sapiens | N-(4-ferrocenylphenyl)-2-fluorobenzamide | |
0.016 | - |
pH 7.6, 37°C | Homo sapiens | N-(4-ferrocenylphenyl)-2-chlorobenzamide | |
0.016 | - |
pH 7.6, 37°C | Homo sapiens | N-(4-ferrocenylphenyl)-2-methylbenzamide | |
0.016 | - |
pH 7.6, 37°C | Homo sapiens | N-(4-ferrocenylphenyl)-4-methoxybenzamide | |
0.017 | - |
pH 7.6, 37°C | Homo sapiens | N-(4-ferrocenylphenyl)benzamide | |
0.021 | - |
pH 7.6, 37°C | Homo sapiens | N-(4-ferrocenylphenyl)-2-methoxybenzamide | |
0.021 | - |
pH 7.6, 37°C | Homo sapiens | N-(4-ferrocenylphenyl)-3-methylbenzamide | |
0.021 | - |
pH 7.6, 37°C | Homo sapiens | N-(4-ferrocenylphenyl)-4-chlorobenzamide | |
0.021 | - |
pH 7.6, 37°C | Homo sapiens | N-(4-ferrocenylphenyl)-4-fluorobenzamide | |
0.024 | - |
pH 7.6, 37°C | Homo sapiens | N-(4-ferrocenylphenyl)-3-fluorobenzamide | |
0.024 | - |
pH 7.6, 37°C | Homo sapiens | N-(4-ferrocenylphenyl)-3-methoxybenzamide | |
0.024 | - |
pH 7.6, 37°C | Homo sapiens | N-(4-ferrocenylphenyl)-4-methylbenzamide | |
0.025 | - |
pH 7.6, 37°C | Homo sapiens | N-(4-ferrocenylphenyl)-3-chlorobenzamide |
General Information | Comment | Organism |
---|---|---|
additional information | enzyme-ligand docking study, overview | Homo sapiens |