Application | Comment | Organism |
---|---|---|
drug development | adenosine deaminase inhibitors have potential as anti-inflammatory drugs or immunosuppressants | Mus musculus |
Crystallization (Comment) | Organism |
---|---|
the binding free energies of a series of adenosine deaminase inhibitors are calculated, and the structure-activity relationship is investigated, the inhibitor recognition mechanism of adenosine deaminase and the effect of methyl substitution in inhibitors are discussed on the basis of the analysis of MD trajectories | Mus musculus |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
1-[(1R)-1-(hydroxymethyl)-3-(6-[[(1-methyl-1H-benzimidazol-2-yl)acetyl]amino]-1H-indol-1-yl)propyl]-1H-imidazole-4-carboxamide | - |
Mus musculus | |
1-[(1R)-1-(hydroxymethyl)-3-naphthalen-1-ylpropyl]-1H-imidazole-4-carboxamide | - |
Mus musculus | |
1-[(1R)-1-(hydroxymethyl)-3-phenylpropyl]-1H-imidazole-4-carboxamide | - |
Mus musculus | |
1-[(1R)-2-hydroxy-1-phenylethyl]-1H-imidazole-4-carboxamide | - |
Mus musculus | |
1-[(1R)-3-[6-(acetylamino)-1H-indol-1-yl]-1-(hydroxymethyl)propyl]-1H-imidazole-4-carboxamide | - |
Mus musculus | |
1-[(1R)-3-[6-(hexanoylamino)-1H-indol-1-yl]-1-(hydroxymethyl)propyl]-1H-imidazole-4-carboxamide | - |
Mus musculus | |
1-[(1R,2S)-2-hydroxy-1-(2-naphthalen-1-ylethyl)propyl]-1H-imidazole-4-carboxamide | - |
Mus musculus |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Mus musculus | P03958 | - |
- |
Synonyms | Comment | Organism |
---|---|---|
ADA | - |
Mus musculus |
adenosine deaminase | - |
Mus musculus |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
0.000077 | - |
1-[(1R)-1-(hydroxymethyl)-3-(6-[[(1-methyl-1H-benzimidazol-2-yl)acetyl]amino]-1H-indol-1-yl)propyl]-1H-imidazole-4-carboxamide | - |
Mus musculus | |
0.00011 | - |
1-[(1R,2S)-2-hydroxy-1-(2-naphthalen-1-ylethyl)propyl]-1H-imidazole-4-carboxamide | - |
Mus musculus | |
0.00024 | - |
1-[(1R)-3-[6-(hexanoylamino)-1H-indol-1-yl]-1-(hydroxymethyl)propyl]-1H-imidazole-4-carboxamide | - |
Mus musculus | |
0.0068 | - |
1-[(1R)-1-(hydroxymethyl)-3-naphthalen-1-ylpropyl]-1H-imidazole-4-carboxamide | - |
Mus musculus | |
0.013 | - |
1-[(1R)-3-[6-(acetylamino)-1H-indol-1-yl]-1-(hydroxymethyl)propyl]-1H-imidazole-4-carboxamide | - |
Mus musculus | |
0.059 | - |
1-[(1R)-1-(hydroxymethyl)-3-phenylpropyl]-1H-imidazole-4-carboxamide | - |
Mus musculus | |
0.54 | - |
1-[(1R)-2-hydroxy-1-phenylethyl]-1H-imidazole-4-carboxamide | - |
Mus musculus |