Crystallization (Comment) | Organism |
---|---|
molecular dynamics simulation using inhibitor (R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-3-(2,6-dimethyl-4-(pyridine-4-ylmethyl)amino-phenoxyacetyl)amino-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | Plasmodium falciparum |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(R)-N-[(1S,2R)-2-hydroxyindan-1-yl]-3-[(2S,3S)-3-(2,6-dimethyl-4-(pyridine-2-ylmethyl)amino-phenoxyacetyl)amino-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | anti-malarial activity, EC50 value 0.00030 mM | Plasmodium falciparum | |
(R)-N-[(1S,2R)-2-hydroxyindan-1-yl]-3-[(2S,3S)-3-(2,6-dimethyl-4-(pyridine-4-ylmethyl)amino-phenoxyacetyl)amino-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | anti-malarial activity, EC50 value 0.00049 mM | Plasmodium falciparum | |
(R)-N-[(1S,2R)-2-hydroxyindan-1-yl]-3-[(2S,3S)-3-(2,6-dimethyl-4-ethylamino-phenoxyacetyl)amino-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | anti-malarial activity, EC50 value 0.00072 mM | Plasmodium falciparum | |
(R)-N-[(1S,2R)-2-hydroxyindan-1-yl]-3-[(2S,3S)-3-(2,6-dimethyl-4-methylamino-phenoxyacetyl)amino-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | anti-malarial activity, EC50 value 0.00045 mM | Plasmodium falciparum | |
(R)-N-[(1S,2R)-2-hydroxyindan-1-yl]-3-[(2S,3S)-3-(4-hydroxymethylphenoxyacetyl)amino-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | anti-malarial activity, EC50 value 0.0011 mM | Plasmodium falciparum |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Plasmodium falciparum | - |
- |
- |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
Ala-Leu-Glu-Arg-Thr-Phe-Phe(p-NO2)-Ser-Phe-Pro-Thr + H2O | - |
Plasmodium falciparum | Ala-Leu-Glu-Arg-Thr-Phe + Phe(p-NO2)-Ser-Phe-Pro-Thr | - |
? |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
0.000006 | - |
(R)-N-[(1S,2R)-2-hydroxyindan-1-yl]-3-[(2S,3S)-3-(2,6-dimethyl-4-(pyridine-4-ylmethyl)amino-phenoxyacetyl)amino-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | pH 4.0, 25°C | Plasmodium falciparum | |
0.000007 | - |
(R)-N-[(1S,2R)-2-hydroxyindan-1-yl]-3-[(2S,3S)-3-(2,6-dimethyl-4-ethylamino-phenoxyacetyl)amino-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | pH 4.0, 25°C | Plasmodium falciparum | |
0.00001 | - |
(R)-N-[(1S,2R)-2-hydroxyindan-1-yl]-3-[(2S,3S)-3-(4-hydroxymethylphenoxyacetyl)amino-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | pH 4.0, 25°C | Plasmodium falciparum | |
0.00001 | - |
(R)-N-[(1S,2R)-2-hydroxyindan-1-yl]-3-[(2S,3S)-3-(2,6-dimethyl-4-(pyridine-2-ylmethyl)amino-phenoxyacetyl)amino-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | pH 4.0, 25°C | Plasmodium falciparum | |
0.000025 | - |
(R)-N-[(1S,2R)-2-hydroxyindan-1-yl]-3-[(2S,3S)-3-(2,6-dimethyl-4-methylamino-phenoxyacetyl)amino-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | pH 4.0, 25°C | Plasmodium falciparum |