Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(2S)-amphetamine | - |
Rattus norvegicus | |
2-(4'-benzyloxyphenyl)thiomorpholin-5-one | - |
Homo sapiens | |
2-(4'-benzyloxyphenyl)thiomorpholin-5-one | - |
Rattus norvegicus | |
2-(4'-benzyloxyphenyl)thiomorpholine oxalate | - |
Homo sapiens | |
2-(4'-benzyloxyphenyl)thiomorpholine oxalate | - |
Rattus norvegicus | |
2-(4'-butoxyphenyl)thiomorpholin-5-one | - |
Homo sapiens | |
2-(4'-butoxyphenyl)thiomorpholin-5-one | - |
Rattus norvegicus | |
2-(4'-butoxyphenyl)thiomorpholine oxalate | - |
Homo sapiens | |
2-(4'-butoxyphenyl)thiomorpholine oxalate | - |
Rattus norvegicus | |
2-(4'-ethoxyphenyl)thiomorpholin-5-one | - |
Homo sapiens | |
2-(4'-ethoxyphenyl)thiomorpholin-5-one | - |
Rattus norvegicus | |
2-(4'-ethoxyphenyl)thiomorpholine oxalate | - |
Homo sapiens | |
2-(4'-ethoxyphenyl)thiomorpholine oxalate | - |
Rattus norvegicus | |
2-(4'-methoxyphenyl)thiomorpholin-5-one | - |
Homo sapiens | |
2-(4'-methoxyphenyl)thiomorpholin-5-one | - |
Rattus norvegicus | |
2-(4'-methoxyphenyl)thiomorpholine oxalate | - |
Homo sapiens | |
2-(4'-methoxyphenyl)thiomorpholine oxalate | - |
Rattus norvegicus | |
2-(4'-propoxyphenyl)thiomorpholin-5-one | - |
Homo sapiens | |
2-(4'-propoxyphenyl)thiomorpholin-5-one | - |
Rattus norvegicus | |
2-(4'-propoxyphenyl)thiomorpholine oxalate | - |
Homo sapiens | |
2-(4'-propoxyphenyl)thiomorpholine oxalate | - |
Rattus norvegicus | |
2-phenylthiomorpholin-5-one | - |
Homo sapiens | |
2-phenylthiomorpholin-5-one | - |
Rattus norvegicus | |
2-phenylthiomorpholine oxalate | - |
Homo sapiens | |
2-phenylthiomorpholine oxalate | - |
Rattus norvegicus | |
D-amphetamine | - |
Homo sapiens | |
additional information | 2-arylthiomorpholine and 2-arylthiomorpholin-5-one derivatives, designed as rigid and/or non-basic phenylethylamine analogues, as monoamine oxidase inhibitors, molecular docking using crystal structures of human MAO-B, PDB ID 1S3E, and MAO-A, PDB ID 2BXS, overview | Homo sapiens | |
additional information | 2-arylthiomorpholine and 2-arylthiomorpholin-5-one derivatives, designed as rigid and/or non-basic phenylethylamine analogues, as monoamine oxidase inhibitors, overview | Rattus norvegicus |
Localization | Comment | Organism | GeneOntology No. | Textmining |
---|---|---|---|---|
mitochondrion | - |
Rattus norvegicus | 5739 | - |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
4-dimethylaminophenylethylamine + H2O + O2 | Rattus norvegicus | substrate of MAO-B | ? | - |
? | |
benzylamine + H2O + O2 | Rattus norvegicus | - |
benzylaldehyde + NH3 + H2O2 | - |
? | |
serotonin + H2O + O2 | Rattus norvegicus | substrate of MAO-A | (5-hydroxy-1H-indol-3-yl)acetaldehyde + NH3 + H2O2 | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | - |
- |
- |
Rattus norvegicus | - |
- |
- |
Source Tissue | Comment | Organism | Textmining |
---|---|---|---|
brain | - |
Rattus norvegicus | - |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
4-dimethylaminophenylethylamine + H2O + O2 | substrate of MAO-B | Rattus norvegicus | ? | - |
? | |
benzylamine + H2O + O2 | - |
Rattus norvegicus | benzylaldehyde + NH3 + H2O2 | - |
? | |
kynuramine + H2O + O2 | - |
Homo sapiens | ? | - |
? | |
serotonin + H2O + O2 | substrate of MAO-A | Rattus norvegicus | (5-hydroxy-1H-indol-3-yl)acetaldehyde + NH3 + H2O2 | - |
? |
Synonyms | Comment | Organism |
---|---|---|
MAO-B | - |
Homo sapiens |
MAO-B | - |
Rattus norvegicus |
monoamine oxidase B | - |
Homo sapiens |
monoamine oxidase B | - |
Rattus norvegicus |
Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
---|---|---|---|
25 | - |
assay at | Rattus norvegicus |
37 | - |
assay at | Homo sapiens |
pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
---|---|---|---|
7.4 | - |
assay at | Homo sapiens |
7.5 | - |
assay at | Rattus norvegicus |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
0.000038 | - |
2-(4'-benzyloxyphenyl)thiomorpholine oxalate | pH 7.4, 37°C, MAO-B | Homo sapiens | |
0.000048 | - |
2-(4'-benzyloxyphenyl)thiomorpholin-5-one | pH 7.4, 37°C, MAO-B | Homo sapiens | |
0.000068 | - |
2-(4'-butoxyphenyl)thiomorpholine oxalate | pH 7.4, 37°C, MAO-B | Homo sapiens | |
0.000074 | - |
2-(4'-benzyloxyphenyl)thiomorpholin-5-one | pH 7.5, 25°C, MAO-B | Rattus norvegicus | |
0.00013 | - |
2-(4'-propoxyphenyl)thiomorpholine oxalate | pH 7.4, 37°C, MAO-B | Homo sapiens | |
0.00013 | - |
2-(4'-benzyloxyphenyl)thiomorpholine oxalate | pH 7.5, 25°C, MAO-B | Rattus norvegicus | |
0.00016 | - |
2-(4'-butoxyphenyl)thiomorpholin-5-one | pH 7.5, 25°C, MAO-B | Rattus norvegicus | |
0.00027 | - |
2-(4'-butoxyphenyl)thiomorpholine oxalate | pH 7.5, 25°C, MAO-B | Rattus norvegicus | |
0.00046 | - |
2-(4'-butoxyphenyl)thiomorpholin-5-one | pH 7.4, 37°C, MAO-B | Homo sapiens | |
0.00098 | - |
2-(4'-propoxyphenyl)thiomorpholine oxalate | pH 7.5, 25°C, MAO-B | Rattus norvegicus | |
0.0015 | - |
2-(4'-propoxyphenyl)thiomorpholin-5-one | pH 7.5, 25°C, MAO-B | Rattus norvegicus | |
0.0021 | - |
2-(4'-ethoxyphenyl)thiomorpholine oxalate | pH 7.4, 37°C, MAO-B | Homo sapiens | |
0.0022 | - |
2-(4'-ethoxyphenyl)thiomorpholine oxalate | pH 7.5, 25°C, MAO-A | Rattus norvegicus | |
0.0022 | - |
2-phenylthiomorpholine oxalate | pH 7.5, 25°C, MAO-B | Rattus norvegicus | |
0.0022 | - |
2-(4'-ethoxyphenyl)thiomorpholine oxalate | pH 7.5, 25°C, MAO-B | Rattus norvegicus | |
0.0024 | - |
2-(4'-propoxyphenyl)thiomorpholin-5-one | pH 7.4, 37°C, MAO-B | Homo sapiens | |
0.0025 | - |
2-(4'-butoxyphenyl)thiomorpholine oxalate | pH 7.4, 37°C, MAO-A | Homo sapiens | |
0.0034 | - |
2-(4'-ethoxyphenyl)thiomorpholin-5-one | pH 7.5, 25°C, MAO-B | Rattus norvegicus | |
0.0037 | - |
2-(4'-propoxyphenyl)thiomorpholine oxalate | pH 7.5, 25°C, MAO-A | Rattus norvegicus | |
0.0039 | - |
2-(4'-methoxyphenyl)thiomorpholine oxalate | pH 7.5, 25°C, MAO-B | Rattus norvegicus | |
0.0064 | - |
2-(4'-methoxyphenyl)thiomorpholine oxalate | pH 7.5, 25°C, MAO-A | Rattus norvegicus | |
0.0066 | - |
2-(4'-propoxyphenyl)thiomorpholine oxalate | pH 7.4, 37°C, MAO-A | Homo sapiens | |
0.0087 | - |
2-(4'-propoxyphenyl)thiomorpholin-5-one | pH 7.5, 25°C, MAO-A | Rattus norvegicus | |
0.00919 | - |
2-phenylthiomorpholin-5-one | pH 7.5, 25°C, MAO-A | Rattus norvegicus | |
0.00928 | - |
2-(4'-methoxyphenyl)thiomorpholin-5-one | pH 7.5, 25°C, MAO-A | Rattus norvegicus | |
0.0096 | - |
2-(4'-ethoxyphenyl)thiomorpholine oxalate | pH 7.4, 37°C, MAO-A | Homo sapiens | |
0.0096 | - |
2-phenylthiomorpholin-5-one | pH 7.5, 25°C, MAO-B | Rattus norvegicus | |
0.01 | - |
2-(4'-butoxyphenyl)thiomorpholin-5-one | pH 7.4, 37°C, MAO-A | Homo sapiens | |
0.0106 | - |
2-phenylthiomorpholine oxalate | pH 7.5, 25°C, MAO-A | Rattus norvegicus | |
0.0122 | - |
(2S)-amphetamine | pH 7.5, 25°C, MAO-A | Rattus norvegicus | |
0.0123 | - |
2-(4'-ethoxyphenyl)thiomorpholin-5-one | pH 7.5, 25°C, MAO-A | Rattus norvegicus | |
0.0136 | - |
2-(4'-methoxyphenyl)thiomorpholin-5-one | pH 7.5, 25°C, MAO-B | Rattus norvegicus | |
0.0141 | - |
2-(4'-butoxyphenyl)thiomorpholine oxalate | pH 7.5, 25°C, MAO-A | Rattus norvegicus | |
0.0144 | - |
D-amphetamine | pH 7.4, 37°C, MAO-A | Homo sapiens | |
0.0162 | - |
2-(4'-methoxyphenyl)thiomorpholine oxalate | pH 7.4, 37°C, MAO-A | Homo sapiens | |
0.0169 | - |
2-(4'-ethoxyphenyl)thiomorpholin-5-one | pH 7.4, 37°C, MAO-B | Homo sapiens | |
0.019 | - |
2-(4'-benzyloxyphenyl)thiomorpholine oxalate | pH 7.5, 25°C, MAO-A | Rattus norvegicus | |
0.0275 | - |
2-(4'-benzyloxyphenyl)thiomorpholin-5-one | pH 7.5, 25°C, MAO-A | Rattus norvegicus | |
0.04 | - |
2-(4'-propoxyphenyl)thiomorpholin-5-one | pH 7.4, 37°C, MAO-A | Homo sapiens | |
0.0509 | - |
2-(4'-butoxyphenyl)thiomorpholin-5-one | pH 7.5, 25°C, MAO-A | Rattus norvegicus | |
0.06 | - |
2-(4'-ethoxyphenyl)thiomorpholin-5-one | pH 7.4, 37°C, MAO-A | Homo sapiens | |
0.1 | - |
2-phenylthiomorpholin-5-one | above, pH 7.4, 37°C, MAO-A | Homo sapiens | |
0.1 | - |
2-(4'-methoxyphenyl)thiomorpholin-5-one | above, pH 7.4, 37°C, MAO-A | Homo sapiens | |
0.1 | - |
2-(4'-benzyloxyphenyl)thiomorpholin-5-one | above, pH 7.4, 37°C, MAO-A | Homo sapiens | |
0.1 | - |
2-phenylthiomorpholine oxalate | above, pH 7.4, 37°C, MAO-A | Homo sapiens | |
0.1 | - |
2-(4'-benzyloxyphenyl)thiomorpholine oxalate | above, pH 7.4, 37°C, MAO-A | Homo sapiens | |
0.1 | - |
2-phenylthiomorpholin-5-one | above, pH 7.4, 37°C, MAO-B | Homo sapiens | |
0.1 | - |
2-(4'-methoxyphenyl)thiomorpholin-5-one | above, pH 7.4, 37°C, MAO-B | Homo sapiens | |
0.1 | - |
2-phenylthiomorpholine oxalate | above, pH 7.4, 37°C, MAO-B | Homo sapiens | |
0.1 | - |
2-(4'-methoxyphenyl)thiomorpholine oxalate | above, pH 7.4, 37°C, MAO-B | Homo sapiens | |
0.1 | - |
(2S)-amphetamine | above, pH 7.5, 25°C, MAO-B | Rattus norvegicus | |
0.28 | - |
D-amphetamine | pH 7.4, 37°C, MAO-B | Homo sapiens |