Application | Comment | Organism |
---|---|---|
drug development | the enzyme is a target for drug development | Homo sapiens |
Cloned (Comment) | Organism |
---|---|
gene TDO2, recombinant expression of His-tagged enzyme in Escherichia coli strain BL21(DE3) | Homo sapiens |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
1-(2-methylbenzyl)-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione | - |
Homo sapiens | |
1-(3-bromobenzyl)-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione | - |
Homo sapiens | |
1-(3-chlorobenzyl)-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione | - |
Homo sapiens | |
1-(3-[(4-acetyl-1-piperazinyl)carbonyl]benzyl)-1H-naphtho-[2,3-d][1,2,3]triazole-4,9-dione | - |
Homo sapiens | |
1-(3-[(4-methyl-1-piperazinyl)carbonyl]benzyl)-1H-naphtho-[2,3-d][1,2,3]triazole-4,9-dione | - |
Homo sapiens | |
1-(4-bromobenzyl)-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione | - |
Homo sapiens | |
1-(4-fluorobenzyl)-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione | - |
Homo sapiens | |
1-(4-methylbenzyl)-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione | - |
Homo sapiens | |
1-(4-[(4-acetylpiperazin-1-yl)carbonyl]benzyl)-1H-naphtho-[2,3-d][1,2,3]triazole-4,9-dione | - |
Homo sapiens | |
1-(4-[(4-methoxypiperidin-1-yl)carbonyl]benzyl)-1Hnaphtho[2,3-d][1,2,3]triazole-4,9-dione | - |
Homo sapiens | |
1-[(3-methylphenyl)methyl]-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione | - |
Homo sapiens | |
1-[(4-chlorophenyl)methyl]-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione | - |
Homo sapiens | |
1-[3-(4-morpholinylcarbonyl)benzyl]-1H-naphtho[2,3-d]-[1,2,3]triazole-4,9-dione | - |
Homo sapiens | |
1-[4-(morpholin-4-ylcarbonyl)benzyl]-1H-naphtho[2,3-d]-[1,2,3]triazole-4,9-dione | - |
Homo sapiens | |
1-[4-[(4-methylpiperazin-1-yl)carbonyl]benzyl]-1H-naphtho-[2,3-d][1,2,3]triazole-4,9-dione | - |
Homo sapiens | |
2-(4-[(4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d][1,2,3]-triazol-1-yl)methyl]phenyl)-N,N-diethylacetamide | - |
Homo sapiens | |
3-[(4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d][1,2,3]triazol-1-yl)methyl]-N,N-diethylbenzamide | - |
Homo sapiens | |
3-[(4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d][1,2,3]triazol-1-yl)methyl]benzoic acid | - |
Homo sapiens | |
4-[(4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d][1,2,3]triazol-1-yl)methyl]-N,N-diethylbenzamide | - |
Homo sapiens | |
4-[(4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d][1,2,3]triazol-1-yl)methyl]benzoic acid | - |
Homo sapiens | |
additional information | identification of substituted naphthotriazolediones as tryptophan 2,3-dioxygenase (TDO) inhibitors through structure-based virtual screening, homology modeling and virtual screening, ligand docking analysis, overview | Homo sapiens |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
L-tryptophan + O2 | Homo sapiens | - |
N-formyl-L-kynurenine | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | P48775 | - |
- |
Purification (Comment) | Organism |
---|---|
recombinant His-tagged enzyme from Escherichia coli strain BL21(DE3) by nickel affinity chromatography and gel filtration | Homo sapiens |
Source Tissue | Comment | Organism | Textmining |
---|---|---|---|
brain | - |
Homo sapiens | - |
liver | - |
Homo sapiens | - |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
L-tryptophan + O2 | - |
Homo sapiens | N-formyl-L-kynurenine | - |
? |
Synonyms | Comment | Organism |
---|---|---|
TDO | - |
Homo sapiens |
TDO2 | - |
Homo sapiens |
Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
---|---|---|---|
37 | - |
assay at | Homo sapiens |
pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
---|---|---|---|
8 | - |
assay at | Homo sapiens |
Cofactor | Comment | Organism | Structure |
---|---|---|---|
heme | - |
Homo sapiens |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.00003 | - |
pH 8.0, 37°C | Homo sapiens | 1-(3-[(4-methyl-1-piperazinyl)carbonyl]benzyl)-1H-naphtho-[2,3-d][1,2,3]triazole-4,9-dione | |
0.000048 | - |
pH 8.0, 37°C | Homo sapiens | 1-[3-(4-morpholinylcarbonyl)benzyl]-1H-naphtho[2,3-d]-[1,2,3]triazole-4,9-dione | |
0.000059 | - |
pH 8.0, 37°C | Homo sapiens | 1-(3-[(4-acetyl-1-piperazinyl)carbonyl]benzyl)-1H-naphtho-[2,3-d][1,2,3]triazole-4,9-dione | |
0.00009 | - |
pH 8.0, 37°C | Homo sapiens | 3-[(4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d][1,2,3]triazol-1-yl)methyl]-N,N-diethylbenzamide | |
0.000108 | - |
pH 8.0, 37°C | Homo sapiens | 1-[4-[(4-methylpiperazin-1-yl)carbonyl]benzyl]-1H-naphtho-[2,3-d][1,2,3]triazole-4,9-dione | |
0.000116 | - |
pH 8.0, 37°C | Homo sapiens | 1-[4-(morpholin-4-ylcarbonyl)benzyl]-1H-naphtho[2,3-d]-[1,2,3]triazole-4,9-dione | |
0.000145 | - |
pH 8.0, 37°C | Homo sapiens | 2-(4-[(4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d][1,2,3]-triazol-1-yl)methyl]phenyl)-N,N-diethylacetamide | |
0.000167 | - |
pH 8.0, 37°C | Homo sapiens | 3-[(4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d][1,2,3]triazol-1-yl)methyl]benzoic acid | |
0.000176 | - |
pH 8.0, 37°C | Homo sapiens | 1-(4-[(4-acetylpiperazin-1-yl)carbonyl]benzyl)-1H-naphtho-[2,3-d][1,2,3]triazole-4,9-dione | |
0.000181 | - |
pH 8.0, 37°C | Homo sapiens | 4-[(4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d][1,2,3]triazol-1-yl)methyl]-N,N-diethylbenzamide | |
0.000209 | - |
pH 8.0, 37°C | Homo sapiens | 1-(4-[(4-methoxypiperidin-1-yl)carbonyl]benzyl)-1Hnaphtho[2,3-d][1,2,3]triazole-4,9-dione | |
0.000312 | - |
pH 8.0, 37°C | Homo sapiens | 4-[(4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d][1,2,3]triazol-1-yl)methyl]benzoic acid | |
0.000561 | - |
pH 8.0, 37°C | Homo sapiens | 1-(2-methylbenzyl)-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione | |
0.000711 | - |
pH 8.0, 37°C | Homo sapiens | 1-(3-chlorobenzyl)-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione | |
0.000768 | - |
pH 8.0, 37°C | Homo sapiens | 1-(3-bromobenzyl)-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione | |
0.001088 | - |
pH 8.0, 37°C | Homo sapiens | 1-(4-methylbenzyl)-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione | |
0.001586 | - |
pH 8.0, 37°C | Homo sapiens | 1-(4-bromobenzyl)-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione | |
0.001745 | - |
pH 8.0, 37°C | Homo sapiens | 1-[(3-methylphenyl)methyl]-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione | |
0.00646 | - |
pH 8.0, 37°C | Homo sapiens | 1-[(4-chlorophenyl)methyl]-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione | |
0.00738 | - |
pH 8.0, 37°C | Homo sapiens | 1-(4-fluorobenzyl)-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione |
General Information | Comment | Organism |
---|---|---|
metabolism | the first and rate limiting step of the kynurenine pathway is carried out by two heme-containing enzymes, tryptophan 2,3-dioxygenase (TDO) and indoleamine 2,3-dioxygenase (IDO, EC 1.13.11.52), which differ in their tissue distribution and regulation | Homo sapiens |
additional information | TDO homology modeling, overview | Homo sapiens |
physiological function | the enzyme is involved in L-tryptophan catabolism to produce bioactive metabolites including kynurenine, kynurenic acid, quinolinic acid, and the coenzyme NAD+ via the kynurenine pathway | Homo sapiens |