Inhibitors | Comment | Organism | Structure |
---|---|---|---|
1-(3-ethoxyphenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine | - |
Escherichia coli | |
1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine | - |
Escherichia coli | |
1-(4-ethoxyphenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine | - |
Escherichia coli | |
1-[3-(aminomethyl)phenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine | - |
Escherichia coli | |
1-[3-chloro-4-(5-phenylpentyl)phenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine | uncompetitive versus NADPH, competitive versus 7,8-dihydrofolate | Escherichia coli | |
1-[4-(aminomethyl)phenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine | - |
Escherichia coli | |
1-[4-(dimethylamino)phenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine | - |
Escherichia coli | |
1-[4-[4-(2,4-dichlorophenyl)butyl]phenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine | - |
Escherichia coli | |
3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)benzonitrile | - |
Escherichia coli | |
4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)benzamido]benzene-1-sulfonyl fluoride | contains a fluorosulfonylphenylaminocarbonyl substitution at R2 on 1-phenyl-6,6-dimethyl-1,3,5-triazine-2,4-diamine ring, and shows the unique behavior of tight-binding and average inhibition, uncompetitive versus NADPH, competitive versus 7,8-dihydrofolate | Escherichia coli | |
4-[4,6-diamino-2-(4-chlorophenyl)-1,3,5-triazin-1(2H)-yl]benzene-1-sulfonamide | - |
Escherichia coli | |
4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride | uncompetitive versus NADPH, competitive versus 7,8-dihydrofolate | Escherichia coli | |
4-[6-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]hexyl]benzenesulfonyl fluoride | uncompetitive versus NADPH, competitive versus 7,8-dihydrofolate | Escherichia coli | |
6,6-dimethyl-1-(4-methylphenyl)-1,6-dihydro-1,3,5-triazine-2,4-diamine | - |
Escherichia coli | |
6,6-dimethyl-1-[3-(4-phenylbutyl)phenyl]-1,6-dihydro-1,3,5-triazine-2,4-diamine | uncompetitive versus NADPH, competitive versus 7,8-dihydrofolate | Escherichia coli | |
lamotrigine | - |
Escherichia coli | |
additional information | analysis of 1,3,5-triazine-2,4-diamine and 1,2,4-triazine-2,4-diamine group-containing compounds as potential inhibitors of Escherichia coli DHFR. Fifteen derivatives of 1,3,5-triazine-2,4-diamine are assessed for their ability to bind to the apo form of enzyme EcDHFR. Quantitative structure-activity relationship analysis and macromolecular docking of the diaminotriazine series of compounds, overview. Effects of 1,3,5-triazine-2,4-diamine derivatives on the cofactor NADPH binding | Escherichia coli |
KM Value [mM] | KM Value Maximum [mM] | Substrate | Comment | Organism | Structure |
---|---|---|---|---|---|
additional information | - |
additional information | Michaelis-Menten kinetics | Escherichia coli |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
7,8-dihydrofolate + NADPH + H+ | Escherichia coli | - |
5,6,7,8-tetrahydrofolate + NADP+ | - |
r |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Escherichia coli | P0ABQ4 | - |
- |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
7,8-dihydrofolate + NADPH + H+ | - |
Escherichia coli | 5,6,7,8-tetrahydrofolate + NADP+ | - |
r |
Synonyms | Comment | Organism |
---|---|---|
DHFR | - |
Escherichia coli |
Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
---|---|---|---|
22 | - |
assay at room temperature | Escherichia coli |
pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
---|---|---|---|
7.3 | - |
assay at | Escherichia coli |
Cofactor | Comment | Organism | Structure |
---|---|---|---|
NADP+ | - |
Escherichia coli | |
NADPH | effects of 1,3,5-triazine-2,4-diamine derivatives on the cofactor NADPH binding, overview | Escherichia coli |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
additional information | - |
additional information | inhibition kinetics, overview | Escherichia coli | |
0.0000497 | - |
4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride | pH 7.3, 22°C | Escherichia coli | |
0.0000926 | - |
4-[6-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]hexyl]benzenesulfonyl fluoride | pH 7.3, 22°C | Escherichia coli | |
0.0003591 | - |
6,6-dimethyl-1-[3-(4-phenylbutyl)phenyl]-1,6-dihydro-1,3,5-triazine-2,4-diamine | pH 7.3, 22°C | Escherichia coli | |
0.0008802 | - |
1-[3-chloro-4-(5-phenylpentyl)phenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine | pH 7.3, 22°C | Escherichia coli | |
0.000958 | - |
3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)benzonitrile | pH 7.3, 22°C | Escherichia coli | |
0.00102 | - |
1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine | pH 7.3, 22°C | Escherichia coli | |
0.00155 | - |
6,6-dimethyl-1-(4-methylphenyl)-1,6-dihydro-1,3,5-triazine-2,4-diamine | pH 7.3, 22°C | Escherichia coli | |
0.00289 | - |
4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)benzamido]benzene-1-sulfonyl fluoride | pH 7.3, 22°C | Escherichia coli | |
0.00402 | - |
1-(4-ethoxyphenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine | pH 7.3, 22°C | Escherichia coli | |
0.01116 | - |
1-(3-ethoxyphenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine | pH 7.3, 22°C | Escherichia coli | |
0.02022 | - |
1-[3-(aminomethyl)phenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine | pH 7.3, 22°C | Escherichia coli | |
0.0393 | - |
1-[4-(aminomethyl)phenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine | pH 7.3, 22°C | Escherichia coli | |
0.105 | - |
4-[4,6-diamino-2-(4-chlorophenyl)-1,3,5-triazin-1(2H)-yl]benzene-1-sulfonamide | pH 7.3, 22°C | Escherichia coli |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.00115 | - |
pH 7.3, 22°C | Escherichia coli | 4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride | |
0.00184 | - |
pH 7.3, 22°C | Escherichia coli | 4-[6-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]hexyl]benzenesulfonyl fluoride | |
0.00759 | - |
pH 7.3, 22°C | Escherichia coli | 6,6-dimethyl-1-[3-(4-phenylbutyl)phenyl]-1,6-dihydro-1,3,5-triazine-2,4-diamine | |
0.01845 | - |
pH 7.3, 22°C | Escherichia coli | 1-[3-chloro-4-(5-phenylpentyl)phenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine | |
0.02019 | - |
pH 7.3, 22°C | Escherichia coli | 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)benzonitrile | |
0.02091 | - |
pH 7.3, 22°C | Escherichia coli | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine | |
0.03227 | - |
pH 7.3, 22°C | Escherichia coli | 6,6-dimethyl-1-(4-methylphenyl)-1,6-dihydro-1,3,5-triazine-2,4-diamine | |
0.06283 | - |
pH 7.3, 22°C | Escherichia coli | 4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)benzamido]benzene-1-sulfonyl fluoride | |
0.0891 | - |
pH 7.3, 22°C | Escherichia coli | 1-(4-ethoxyphenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine | |
0.263 | - |
pH 7.3, 22°C | Escherichia coli | 1-(3-ethoxyphenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine | |
0.478 | - |
pH 7.3, 22°C | Escherichia coli | 1-[3-(aminomethyl)phenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine | |
0.722 | - |
pH 7.3, 22°C | Escherichia coli | 1-[4-(aminomethyl)phenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine | |
1.548 | - |
pH 7.3, 22°C | Escherichia coli | 4-[4,6-diamino-2-(4-chlorophenyl)-1,3,5-triazin-1(2H)-yl]benzene-1-sulfonamide |
General Information | Comment | Organism |
---|---|---|
metabolism | enzyme DHFR is a pivotal enzyme in the thymidine and purine synthesis pathway | Escherichia coli |