Crystallization (Comment) | Organism |
---|---|
in complex with inhibitors 5-methyl-N-(naphthalen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, and 5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine to 2.0 A, 2.4 A, and 2.5 A resolution, respectively | Plasmodium falciparum |
Protein Variants | Comment | Organism |
---|---|---|
F188A | mutation has minimal effect on catalytic efficiency. IC50 value for inhibitor 5-methyl-N-(naphthalen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine increases 30-50fold | Plasmodium falciparum |
F227A | mutation has minimal effect on catalytic efficiency. IC50 value for inhibitor 5-methyl-N-(naphthalen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine increases 30-50fold | Plasmodium falciparum |
H185A | mutation has minimal effect on catalytic efficiency. IC50 value for inhibitor 5-methyl-N-(naphthalen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine increases 30-50fold | Plasmodium falciparum |
R265A | mutation has minimal effect on catalytic efficiency. IC50 value for inhibitor 5-methyl-N-(naphthalen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine increases 30-50fold | Plasmodium falciparum |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
5-methyl-N-(naphthalen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | i.e. DSM1 | Plasmodium falciparum | |
5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine | i.e. DSM74 | Plasmodium falciparum | |
N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | i.e. DSM2 | Plasmodium falciparum |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Plasmodium falciparum | Q08210 | - |
- |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
dihydroorotate + coenzyme Q | coenzyme OD possesses a decyl tail | Plasmodium falciparum | orotate + reduced coenzyme Q | - |
? |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.00021 | - |
pH 8.0, 20°C, mutant F188A | Plasmodium falciparum | N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | |
0.0013 | - |
pH 8.0, 20°C, mutant F227A | Plasmodium falciparum | 5-methyl-N-(naphthalen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | |
0.0013 | - |
pH 8.0, 20°C, mutant H185A | Plasmodium falciparum | 5-methyl-N-(naphthalen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | |
0.0013 | - |
pH 8.0, 20°C, mutant H185A | Plasmodium falciparum | N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | |
0.0014 | - |
pH 8.0, 20°C, mutant F188A | Plasmodium falciparum | 5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine | |
0.0021 | - |
pH 8.0, 20°C, mutant F188A | Plasmodium falciparum | 5-methyl-N-(naphthalen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | |
0.0021 | - |
pH 8.0, 20°C, mutant R265A | Plasmodium falciparum | 5-methyl-N-(naphthalen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | |
0.0024 | - |
pH 8.0, 20°C, mutant R265A | Plasmodium falciparum | N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | |
0.0044 | - |
pH 8.0, 20°C, mutant F227A | Plasmodium falciparum | N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | |
0.0063 | - |
pH 8.0, 20°C, mutant F227A | Plasmodium falciparum | 5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine | |
0.023 | - |
pH 8.0, 20°C, mutant R265A | Plasmodium falciparum | 5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine | |
0.025 | - |
pH 8.0, 20°C, mutant H185A | Plasmodium falciparum | 5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine |