EC Number |
Inhibitors |
Structure |
---|
3.4.22.51 | S-methyl thiomethanesulfonate |
- |
|
3.4.22.51 | benzoyl-Tyr-Ala-fluoromethyl ketone |
- |
|
3.4.22.51 | benzoyl-Tyr-Ala-chloromethyl ketone |
first quantum mechanics/molecular mechanics studies show that benzoyl-Tyr-Ala-chloromethyl ketone is a good candidate for the development of a proper inhibitor of cruzain, which in turn can be used in the treatment of Chagas desease |
|
3.4.22.51 | N-(4-([(2Z)-2-(4-bromophenyl)-2-(2-carbamothioylhydrazinylidene)ethyl]oxy)phenyl)acetamide |
0.05 mM, 80.7% inhibition, 23°C, pH 5.5 |
|
3.4.22.51 | (2Z)-2-(2-[([1,1'-biphenyl]-3-yl)oxy]-1-(4-bromophenyl)ethylidene)hydrazine-1-carbothioamide |
0.05 mM, 65.4% inhibition, 23°C, pH 5.5 |
|
3.4.22.51 | (2Z)-2-(2-[([1,1'-biphenyl]-4-yl)oxy]-1-(4-bromophenyl)ethylidene)hydrazine-1-carbothioamide |
0.05 mM, 63.7% inhibition, 23°C, pH 5.5 |
|
3.4.22.51 | (2S)-N-(cyanomethyl)-3-phenyl-2-(phenylformamido)-propanamide |
i.e. Neq0409, inhibition is enthalpy driven with a clear detrimental contribution of the entropy difference to the free binding energy |
|
3.4.22.51 | (2S)-N-(1-cyano-1-methylethyl)-3-phenyl-2-(phenylformamido)propanamide |
i.e. Neq0410, inhibition is enthalpy driven with a clear detrimental contribution of the entropy difference to the free binding energy |
|
3.4.22.51 | (2S)-N-(1-cyanocyclopropyl)-3-phenyl-2-(phenylformamido)propanamide |
i.e. Neq0570, inhibition is enthalpy driven with a clear detrimental contribution of the entropy difference to the free binding energy |
|