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Literature summary for 3.6.1.56 extracted from
- Identification and structure-activity relationship of purine derivatives as novel MTH1 inhibitors (2017), Chem. Biol. Drug Des., 89, 862-869 .
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| (2Z)-2-methyl-4-[(9H-purin-6-yl)amino]but-2-en-1-ol | - |
Homo sapiens |  |
| 2-chloro-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-9H-purine | - |
Homo sapiens | |
| 2-[2-[(6-methoxy-3-methyl-1H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy]ethanol | i.e. SCH-51344 | Homo sapiens | |
| 6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-9H-purine | - |
Homo sapiens | |
| 6-(2,3-dichlorophenyl)-N4-methylpyrimidine-2,4-diamine | i.e. TH287 | Homo sapiens | |
| N-(2-phenylethyl)-9H-purin-6-amine | - |
Homo sapiens | |
| N-[(2H-1,3-benzodioxol-5-yl)methyl]-9H-purin-6-amine | - |
Homo sapiens | |
| N-[(furan-2-yl)methyl]-9-methyl-9H-purin-6-amine | - |
Homo sapiens | |
| N-[(furan-2-yl)methyl]-9H-purin-6-amine | - |
Homo sapiens | |
| N-[3-[(propan-2-yl)oxy]propyl]-9H-purin-6-amine | NPD15095, competitive inhibition | Homo sapiens | |
| N6-(2-methoxyethyl)-9H-purine-2,6-diamine | - |
Homo sapiens | |
| N6-(2-phenylethyl)-9H-purine-2,6-diamine | - |
Homo sapiens | |
| N6-benzyl-9H-purine-2,6-diamine | - |
Homo sapiens | |
| N6-[2-(3,4-dimethoxyphenyl)ethyl]-9H-purine-2,6-diamine | - |
Homo sapiens | |
| N6-[3-[(propan-2-yl)oxy]propyl]-9H-purine-2,6-diamine | - |
Homo sapiens | |
Natural Substrates/ Products (Substrates)
| Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| 2-hydroxy-dATP + H2O | Homo sapiens | - |
2-hydroxy-dAMP + diphosphate | - |
? | |
| 8-oxo-dGTP + H2O | Homo sapiens | - |
8-oxo-dGMP + diphosphate | - |
? | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Homo sapiens | P36639 | - |
- |
Substrates and Products (Substrate)
| Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| 2-hydroxy-dATP + H2O | - |
Homo sapiens | 2-hydroxy-dAMP + diphosphate | - |
? | |
| 8-oxo-dGTP + H2O | - |
Homo sapiens | 8-oxo-dGMP + diphosphate | - |
? | |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| MTH1 | - |
Homo sapiens |
IC50 Value
| IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|
| 0.00021 | - |
with 8-oxo-dGTP as substrate, at pH 7.5, temperature not specified in the publication | Homo sapiens | 6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-9H-purine | |
| 0.00023 | - |
with 8-oxo-dGTP as substrate, at pH 7.5, temperature not specified in the publication | Homo sapiens | 2-chloro-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-9H-purine | |
| 0.00029 | - |
with 8-oxo-dGTP as substrate, at pH 7.5, temperature not specified in the publication | Homo sapiens | N6-(2-phenylethyl)-9H-purine-2,6-diamine | |
| 0.00035 | - |
with 2-hydroxy-dATP as substrate, at pH 7.5, temperature not specified in the publication | Homo sapiens | 2-chloro-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-9H-purine | |
| 0.00038 | - |
with 2-hydroxy-dATP as substrate, at pH 7.5, temperature not specified in the publication | Homo sapiens | 6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-9H-purine | |
| 0.00042 | - |
with 2-hydroxy-dATP as substrate, at pH 7.5, temperature not specified in the publication | Homo sapiens | N6-[2-(3,4-dimethoxyphenyl)ethyl]-9H-purine-2,6-diamine | |
| 0.0005 | - |
with 2-hydroxy-dATP as substrate, at pH 7.5, temperature not specified in the publication | Homo sapiens | N6-(2-phenylethyl)-9H-purine-2,6-diamine | |
| 0.00063 | - |
with 8-oxo-dGTP as substrate, at pH 7.5, temperature not specified in the publication | Homo sapiens | N6-benzyl-9H-purine-2,6-diamine | |
| 0.00113 | - |
with 2-hydroxy-dATP as substrate, at pH 7.5, temperature not specified in the publication | Homo sapiens | N6-benzyl-9H-purine-2,6-diamine | |
| 0.0019 | - |
with 8-oxo-dGTP as substrate, at pH 7.5, temperature not specified in the publication | Homo sapiens | N6-[3-[(propan-2-yl)oxy]propyl]-9H-purine-2,6-diamine | |
| 0.0028 | - |
with 2-hydroxy-dATP as substrate, at pH 7.5, temperature not specified in the publication | Homo sapiens | N6-[3-[(propan-2-yl)oxy]propyl]-9H-purine-2,6-diamine | |
| 0.0028 | - |
with 8-oxo-dGTP as substrate, at pH 7.5, temperature not specified in the publication | Homo sapiens | N-(2-phenylethyl)-9H-purin-6-amine | |
| 0.00333 | - |
with 8-oxo-dGTP as substrate, at pH 7.5, temperature not specified in the publication | Homo sapiens | N-[3-[(propan-2-yl)oxy]propyl]-9H-purin-6-amine | |
| 0.0039 | - |
with 2-hydroxy-dATP as substrate, at pH 7.5, temperature not specified in the publication | Homo sapiens | N-(2-phenylethyl)-9H-purin-6-amine | |
| 0.0048 | - |
with 8-oxo-dGTP as substrate, at pH 7.5, temperature not specified in the publication | Homo sapiens | N6-(2-methoxyethyl)-9H-purine-2,6-diamine | |
| 0.0067 | - |
with 2-hydroxy-dATP as substrate, at pH 7.5, temperature not specified in the publication | Homo sapiens | N-[3-[(propan-2-yl)oxy]propyl]-9H-purin-6-amine | |
| 0.0091 | - |
with 2-hydroxy-dATP as substrate, at pH 7.5, temperature not specified in the publication | Homo sapiens | N6-(2-methoxyethyl)-9H-purine-2,6-diamine | |
| 0.014 | - |
with 8-oxo-dGTP as substrate, at pH 7.5, temperature not specified in the publication | Homo sapiens | (2Z)-2-methyl-4-[(9H-purin-6-yl)amino]but-2-en-1-ol | |
| 0.02 | - |
with 8-oxo-dGTP as substrate, at pH 7.5, temperature not specified in the publication | Homo sapiens | N-[(2H-1,3-benzodioxol-5-yl)methyl]-9H-purin-6-amine | |
| 0.02 | - |
with 8-oxo-dGTP as substrate, at pH 7.5, temperature not specified in the publication | Homo sapiens | N-[(furan-2-yl)methyl]-9H-purin-6-amine | |
| 0.021 | - |
with 8-oxo-dGTP as substrate, at pH 7.5, temperature not specified in the publication | Homo sapiens | N6-[2-(3,4-dimethoxyphenyl)ethyl]-9H-purine-2,6-diamine | |
| 0.022 | - |
with 2-hydroxy-dATP as substrate, at pH 7.5, temperature not specified in the publication | Homo sapiens | (2Z)-2-methyl-4-[(9H-purin-6-yl)amino]but-2-en-1-ol | |
| 0.028 | - |
with 2-hydroxy-dATP as substrate, at pH 7.5, temperature not specified in the publication | Homo sapiens | N-[(2H-1,3-benzodioxol-5-yl)methyl]-9H-purin-6-amine | |
| 0.029 | - |
with 2-hydroxy-dATP as substrate, at pH 7.5, temperature not specified in the publication | Homo sapiens | N-[(furan-2-yl)methyl]-9H-purin-6-amine | |
| 1 | - |
IC50 above 1.0 mM, with 8-oxo-dGTP as substrate, at pH 7.5, temperature not specified in the publication | Homo sapiens | N-[(furan-2-yl)methyl]-9-methyl-9H-purin-6-amine | |
General Information
| General Information | Comment | Organism |
|---|---|---|
| physiological function | the enzyme prevents the incorporation of oxidized nucleotides such as 2-hydroxy-ATP and 8-oxo-dGTP during DNA replication by hydrolysing them into their corresponding monophosphates | Homo sapiens |
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