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Literature summary for 1.13.11.52 extracted from
- Identification of potent virtual leads to design novel indoleamine 2,3-dioxygenase inhibitors: pharmacophore modeling and molecular docking studies (2010), Eur. J. Med. Chem., 45, 4004-4012.
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| 1-Methyltryptophan | - |
Homo sapiens |  |
| 2,2-dimethyl-1a,9b-dihydro-2H-benzo[g]oxireno[c]chromene-4,9-dione | - |
Homo sapiens | |
| 2-methylnaphthalene-1,4-dione | - |
Homo sapiens | |
| 3-(1H-imidazol-4-yl)benzaldehyde | - |
Homo sapiens | |
| 3-hydroxy-2,2-dimethyl-4-(morpholin-4-yl)-3,4-dihydro-2H-benzo[g]chromene-5,10-dione | - |
Homo sapiens | |
| 3-hydroxy-4-methoxy-2,2-dimethyl-2H-benzo[g]chromene-5,10-dione | - |
Homo sapiens | |
| 4-(2-fluorophenyl)-1H-imidazole | - |
Homo sapiens | |
| 4-(benzylamino)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione | - |
Homo sapiens | |
| 4-(butylamino)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione | - |
Homo sapiens | |
| 4-(thiophen-2-yl)-1H-imidazole | - |
Homo sapiens | |
| 4-fluoro-2-(1H-pyrazol-3-yl)phenol | - |
Homo sapiens | |
| 4-phenylimidazole | weak noncompetitive inhibitor of IDO | Homo sapiens | |
| 4-[2-(methylsulfanyl)phenyl]-1H-imidazole | - |
Homo sapiens | |
| 4-[3-(methylsulfanyl)phenyl]-1H-imidazole | - |
Homo sapiens | |
| 6-hydroxy-2,2-dimethyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione | - |
Homo sapiens | |
| 8-hydroxy-2,2-dimethyl-2H-benzo[g]chromene-5,10-dione | - |
Homo sapiens | |
| 9-methoxy-2,2-dimethyl-2H-benzo[g]chromene-5,10-dione | - |
Homo sapiens | |
| gamma-glutamyl-S-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)cysteinylglycine | - |
Homo sapiens | |
| naphthalene-1,4-dione | - |
Homo sapiens | |
Natural Substrates/ Products (Substrates)
| Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| L-tryptophan + O2 | Homo sapiens | - |
N-formyl-L-kynurenine | - |
? | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Homo sapiens | P14902 | - |
- |
Substrates and Products (Substrate)
| Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| L-tryptophan + O2 | - |
Homo sapiens | N-formyl-L-kynurenine | - |
? | |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| IDO | - |
Homo sapiens |
Cofactor
| Cofactor | Comment | Organism | Structure |
|---|---|---|---|
| heme | IDO is active when the heme iron is in the ferrous (Fe2+) form and inactive when it is in ferric (Fe3+) form | Homo sapiens | |
IC50 Value
| IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|
| 0.000055 | - |
pH and temperature not specified in the publication | Homo sapiens | 4-(benzylamino)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione | |
| 0.00013 | - |
pH and temperature not specified in the publication | Homo sapiens | 4-(butylamino)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione | |
| 0.00019 | - |
pH and temperature not specified in the publication | Homo sapiens | 6-hydroxy-2,2-dimethyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione | |
| 0.00025 | - |
pH and temperature not specified in the publication | Homo sapiens | 4-(benzylamino)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione | |
| 0.00036 | - |
pH and temperature not specified in the publication | Homo sapiens | 3-hydroxy-2,2-dimethyl-4-(morpholin-4-yl)-3,4-dihydro-2H-benzo[g]chromene-5,10-dione | |
| 0.00088 | - |
pH and temperature not specified in the publication | Homo sapiens | gamma-glutamyl-S-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)cysteinylglycine | |
| 0.00099 | - |
pH and temperature not specified in the publication | Homo sapiens | naphthalene-1,4-dione | |
| 0.0011 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-methylnaphthalene-1,4-dione | |
| 0.002 | - |
pH and temperature not specified in the publication | Homo sapiens | 8-hydroxy-2,2-dimethyl-2H-benzo[g]chromene-5,10-dione | |
| 0.00292 | - |
pH and temperature not specified in the publication | Homo sapiens | 9-methoxy-2,2-dimethyl-2H-benzo[g]chromene-5,10-dione | |
| 0.00396 | - |
pH and temperature not specified in the publication | Homo sapiens | 3-hydroxy-4-methoxy-2,2-dimethyl-2H-benzo[g]chromene-5,10-dione | |
| 0.00495 | - |
pH and temperature not specified in the publication | Homo sapiens | 2,2-dimethyl-1a,9b-dihydro-2H-benzo[g]oxireno[c]chromene-4,9-dione | |
| 0.026 | - |
pH and temperature not specified in the publication | Homo sapiens | 4-fluoro-2-(1H-pyrazol-3-yl)phenol | |
| 0.038 | - |
pH and temperature not specified in the publication | Homo sapiens | 4-[2-(methylsulfanyl)phenyl]-1H-imidazole | |
| 0.073 | - |
pH and temperature not specified in the publication | Homo sapiens | 4-[3-(methylsulfanyl)phenyl]-1H-imidazole | |
| 0.179 | - |
pH and temperature not specified in the publication | Homo sapiens | 4-(2-fluorophenyl)-1H-imidazole | |
| 0.422 | - |
pH and temperature not specified in the publication | Homo sapiens | 4-(thiophen-2-yl)-1H-imidazole | |
| 0.825 | - |
pH and temperature not specified in the publication | Homo sapiens | 3-(1H-imidazol-4-yl)benzaldehyde | |
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