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Literature summary for 3.4.21.5 extracted from
- Thrombin inhibition by novel benzamidine derivatives: a free-energy perturbation study (2002), J. Med. Chem., 45, 4995-5004.
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| 4-amidinophenylpyruvate | - |
Homo sapiens |  |
| benzamidine | - |
Homo sapiens | |
| additional information | computational modeling, inhibitor binding mechanism, preference of binding of different benzamidine derivatives due to thermodynamic measurements and and hydration in descending order: 4-(2-oxo-1-propyl)benzamidine, 4-ethylbenzamidine, 4-(1-propyl)benzamidine, 4-methylbenzamidine, benzamidine, 4-amidinophenylpyruvate, inhibitors bind to Ser195 | Homo sapiens |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Homo sapiens | P00734 | - |
- |
Ki Value [mM]
| Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
|---|---|---|---|---|---|
| 0.0003 | - |
benzamidine | - |
Homo sapiens | |
| 0.00062 | - |
4-amidinophenylpyruvate | - |
Homo sapiens | |
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Release 2023.1 (January 2023)
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