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Literature summary extracted from
- Inhibition of Leishmania infantum trypanothione reductase by azole-based compounds: a comparative analysis with its physiological substrate by X-ray crystallography (2013), ChemMedChem, 8, 1175-1183.
Cloned(Commentary)
| EC Number | Cloned (Comment) | Organism |
|---|---|---|
| 1.8.1.12 | - |
Leishmania infantum |
Crystallization (Commentary)
| EC Number | Crystallization (Comment) | Organism |
|---|---|---|
| 1.8.1.12 | - |
Leishmania infantum |
Inhibitors
| EC Number | Inhibitors | Comment | Organism | Structure |
|---|---|---|---|---|
| 1.8.1.12 | 4-((1-(4-ethylphenyl)-2-methyl-5-(4-(methylthio)phenyl)-1H-pyrrol-3-yl)methyl)thiomorpholine | most active inhibitor | Leishmania infantum |  |
KM Value [mM]
| EC Number | KM Value [mM] | KM Value Maximum [mM] | Substrate | Comment | Organism | Structure |
|---|---|---|---|---|---|---|
| 1.8.1.12 | 0.023 | - |
trypanothione disulfide | in the absence of 4-((1-(4-ethylphenyl)-2-methyl-5-(4-(methylthio)phenyl)-1H-pyrrol-3-yl)methyl)thiomorpholine, at 20°C, pH not specified in the publication | Leishmania infantum | |
| 1.8.1.12 | 0.053 | - |
trypanothione disulfide | in the presence of 0.01 mM 4-((1-(4-ethylphenyl)-2-methyl-5-(4-(methylthio)phenyl)-1H-pyrrol-3-yl)methyl)thiomorpholine, at 20°C, pH not specified in the publication | Leishmania infantum | |
| 1.8.1.12 | 0.075 | - |
trypanothione disulfide | in the presence of 0.03 mM 4-((1-(4-ethylphenyl)-2-methyl-5-(4-(methylthio)phenyl)-1H-pyrrol-3-yl)methyl)thiomorpholine, at 20°C, pH not specified in the publication | Leishmania infantum | |
Natural Substrates/ Products (Substrates)
| EC Number | Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|---|
| 1.8.1.12 | trypanothione disulfide + NADPH + H+ | Leishmania infantum | - |
trypanothione + NADP+ | - |
ir | |
Organism
| EC Number | Organism | UniProt | Comment | Textmining |
|---|---|---|---|---|
| 1.8.1.12 | Leishmania infantum | A4HSF7 | - |
- |
Purification (Commentary)
| EC Number | Purification (Comment) | Organism |
|---|---|---|
| 1.8.1.12 | in complex with inhibitor 4-((1-(4-ethylphenyl)-2-methyl-5-(4-(methylthio)phenyl)-1H-pyrrol-3-yl)methyl)thiomorpholine | Leishmania infantum |
Source Tissue
| EC Number | Source Tissue | Comment | Organism | Textmining |
|---|---|---|---|---|
| 1.8.1.12 | amastigote | - |
Leishmania infantum | - |
Substrates and Products (Substrate)
| EC Number | Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|---|
| 1.8.1.12 | trypanothione disulfide + NADPH + H+ | - |
Leishmania infantum | trypanothione + NADP+ | - |
ir | |
Synonyms
| EC Number | Synonyms | Comment | Organism |
|---|---|---|---|
| 1.8.1.12 | trypanothione reductase | - |
Leishmania infantum |
Turnover Number [1/s]
| EC Number | Turnover Number Minimum [1/s] | Turnover Number Maximum [1/s] | Substrate | Comment | Organism | Structure |
|---|---|---|---|---|---|---|
| 1.8.1.12 | 11.4 | - |
trypanothione disulfide | in the absence of 4-((1-(4-ethylphenyl)-2-methyl-5-(4-(methylthio)phenyl)-1H-pyrrol-3-yl)methyl)thiomorpholine, at 20°C, pH not specified in the publication | Leishmania infantum | |
| 1.8.1.12 | 18 | - |
trypanothione disulfide | in the presence of 0.01 mM 4-((1-(4-ethylphenyl)-2-methyl-5-(4-(methylthio)phenyl)-1H-pyrrol-3-yl)methyl)thiomorpholine, at 20°C, pH not specified in the publication | Leishmania infantum | |
| 1.8.1.12 | 19 | - |
trypanothione disulfide | in the presence of 0.03 mM 4-((1-(4-ethylphenyl)-2-methyl-5-(4-(methylthio)phenyl)-1H-pyrrol-3-yl)methyl)thiomorpholine, at 20°C, pH not specified in the publication | Leishmania infantum | |
Cofactor
| EC Number | Cofactor | Comment | Organism | Structure |
|---|---|---|---|---|
| 1.8.1.12 | FAD | - |
Leishmania infantum | |
| 1.8.1.12 | NADPH | - |
Leishmania infantum | |
Ki Value [mM]
| EC Number | Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
|---|---|---|---|---|---|---|
| 1.8.1.12 | 0.0046 | - |
4-((1-(4-ethylphenyl)-2-methyl-5-(4-(methylthio)phenyl)-1H-pyrrol-3-yl)methyl)thiomorpholine | at 20°C, pH not specified in the publication | Leishmania infantum | |
kcat/KM [mM/s]
| EC Number | kcat/KM Value [1/mMs-1] | kcat/KM Value Maximum [1/mMs-1] | Substrate | Comment | Organism | Structure |
|---|---|---|---|---|---|---|
| 1.8.1.12 | 250 | - |
trypanothione disulfide | in the presence of 0.03 mM 4-((1-(4-ethylphenyl)-2-methyl-5-(4-(methylthio)phenyl)-1H-pyrrol-3-yl)methyl)thiomorpholine, at 20°C, pH not specified in the publication | Leishmania infantum | |
| 1.8.1.12 | 340 | - |
trypanothione disulfide | in the presence of 0.01 mM 4-((1-(4-ethylphenyl)-2-methyl-5-(4-(methylthio)phenyl)-1H-pyrrol-3-yl)methyl)thiomorpholine, at 20°C, pH not specified in the publication | Leishmania infantum | |
| 1.8.1.12 | 470 | - |
trypanothione disulfide | in the absence of 4-((1-(4-ethylphenyl)-2-methyl-5-(4-(methylthio)phenyl)-1H-pyrrol-3-yl)methyl)thiomorpholine, at 20°C, pH not specified in the publication | Leishmania infantum | |
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