Cloned (Comment) | Organism |
---|---|
expression in Escherichia coli | Staphylococcus aureus |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(E)-1-(1-cyclopropyl-6,7-dimethoxyphthalazin-2(1H)-yl)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)prop-2-en-1-one | - |
Staphylococcus aureus | |
(E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-(4-methoxyphenyl)phthalazin-2(1H)-yl)prop-2-en-1-one | - |
Staphylococcus aureus | |
(E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-phenylphthalazin-2(1H)-yl)prop-2-en-1-one | - |
Staphylococcus aureus | |
(E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-propylphthalazin-2(1H)-yl)prop-2-en-1-one | - |
Staphylococcus aureus | |
(E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(6,7-dimethoxy-1-propylphthalazin-2(1H)-yl)prop-2-en-1-one | - |
Staphylococcus aureus | |
(E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(6,7-dimethyl-1-propylphthalazin-2(1H)-yl)prop-2-en-1-one | - |
Staphylococcus aureus | |
additional information | synthesis of trimethoprim derivatives containing an acryloyl linker and a dihydophthalazine moiety. Structural data reveal accommodation of predominantly the S-enantiomer of the inhibitors within the folate-binding pocket. Longer modifications at the chiral carbon, such as p-methylbenzyl, protrude from the pocket into solvent and result in poorer Ki values, as do modifications with greater torsional freedom, such as 1-ethylpropyl | Staphylococcus aureus |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Staphylococcus aureus | A0A0M3KKX1 | - |
- |
Staphylococcus aureus ET3-1 | A0A0M3KKX1 | - |
- |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
0.0000007 | - |
(E)-1-(1-cyclopropyl-6,7-dimethoxyphthalazin-2(1H)-yl)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)prop-2-en-1-one | 30°C, pH not specified in the publication | Staphylococcus aureus | |
0.0000011 | - |
(E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(6,7-dimethoxy-1-propylphthalazin-2(1H)-yl)prop-2-en-1-one | 30°C, pH not specified in the publication | Staphylococcus aureus | |
0.0000012 | - |
(E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-(4-methoxyphenyl)phthalazin-2(1H)-yl)prop-2-en-1-one | 30°C, pH not specified in the publication | Staphylococcus aureus | |
0.0000012 | - |
(E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-phenylphthalazin-2(1H)-yl)prop-2-en-1-one | 30°C, pH not specified in the publication | Staphylococcus aureus | |
0.0000012 | - |
(E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-propylphthalazin-2(1H)-yl)prop-2-en-1-one | 30°C, pH not specified in the publication | Staphylococcus aureus | |
0.0000012 | - |
(E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(6,7-dimethyl-1-propylphthalazin-2(1H)-yl)prop-2-en-1-one | 30°C, pH not specified in the publication | Staphylococcus aureus |