Application | Comment | Organism |
---|---|---|
biotechnology | method for screening combinatorial or other libraries of enzyme based on affinities of the inhibitors with the enzyme | Homo sapiens |
biotechnology | method for screening combinatorial or other libraries of Plasmodium falciparum enzyme based on affinities of the inhibitors with the enzyme | Plasmodium falciparum |
Protein Variants | Comment | Organism |
---|---|---|
C59R/S108N | mutant with increased resistance to anitfolate antimalarials, use for screening inhibitors | Plasmodium falciparum |
N51I/C59R/S108N/I164L | mutant with increased resistance to anitfolate antimalarials, use for screening inhibitors | Plasmodium falciparum |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
5-(3,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine | - |
Homo sapiens | |
5-(3,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine | - |
Plasmodium falciparum | |
5-(3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine | - |
Homo sapiens | |
5-(3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine | - |
Plasmodium falciparum | |
5-(4-bromophenyl)-6-ethylpyrimidine-2,4-diamine | - |
Homo sapiens | |
5-(4-bromophenyl)-6-ethylpyrimidine-2,4-diamine | - |
Plasmodium falciparum | |
5-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidine-2,4-diamine | - |
Homo sapiens | |
5-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidine-2,4-diamine | - |
Plasmodium falciparum | |
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine | - |
Homo sapiens | |
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine | - |
Plasmodium falciparum | |
5-(4-chlorophenyl)-6-isobutylpyrimidine-2,4-diamine | - |
Homo sapiens | |
5-(4-chlorophenyl)-6-isobutylpyrimidine-2,4-diamine | - |
Plasmodium falciparum | |
5-(4-chlorophenyl)-6-isopropylpyrimidine-2,4-diamine | - |
Homo sapiens | |
5-(4-chlorophenyl)-6-isopropylpyrimidine-2,4-diamine | - |
Plasmodium falciparum | |
5-(4-chlorophenyl)-6-phenylpyrimidine-2,4-diamine | very high Ki-value | Homo sapiens | |
5-(4-chlorophenyl)-6-phenylpyrimidine-2,4-diamine | - |
Plasmodium falciparum | |
5-(4-chlorophenyl)-6-propylpyrimidine-2,4-diamine | - |
Homo sapiens | |
5-(4-chlorophenyl)-6-propylpyrimidine-2,4-diamine | - |
Plasmodium falciparum | |
6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine | - |
Homo sapiens | |
6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine | - |
Plasmodium falciparum | |
methyl 4-(2,6-diamino-5-phenylpyrimidin-4-yl)butanoate | - |
Homo sapiens | |
methyl 4-(2,6-diamino-5-phenylpyrimidin-4-yl)butanoate | - |
Plasmodium falciparum | |
methyl 4-[2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl]butanoate | - |
Homo sapiens | |
methyl 4-[2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl]butanoate | - |
Plasmodium falciparum |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | - |
- |
- |
Plasmodium falciparum | - |
- |
- |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
0.0000003 | - |
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine | wild-type, pH 7.0, 25°C | Plasmodium falciparum | |
0.0000003 | - |
5-(4-bromophenyl)-6-ethylpyrimidine-2,4-diamine | wild-type, pH 7.0, 25°C | Plasmodium falciparum | |
0.0000003 | - |
5-(4-chlorophenyl)-6-isopropylpyrimidine-2,4-diamine | wild-type, pH 7.0, 25°C | Plasmodium falciparum | |
0.0000003 | - |
5-(3,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine | wild-type, pH 7.0, 25°C | Homo sapiens | |
0.0000003 | - |
5-(4-chlorophenyl)-6-isobutylpyrimidine-2,4-diamine | wild-type, pH 7.0, 25°C | Plasmodium falciparum | |
0.0000005 | - |
methyl 4-[2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl]butanoate | wild-type, pH 7.0, 25°C | Plasmodium falciparum | |
0.0000005 | - |
5-(4-chlorophenyl)-6-propylpyrimidine-2,4-diamine | wild-type, pH 7.0, 25°C | Plasmodium falciparum | |
0.0000006 | - |
methyl 4-(2,6-diamino-5-phenylpyrimidin-4-yl)butanoate | wild-type, pH 7.0, 25°C | Plasmodium falciparum | |
0.0000008 | - |
5-(3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine | wild-type, pH 7.0, 25°C | Plasmodium falciparum | |
0.0000009 | - |
6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine | wild-type, pH 7.0, 25°C | Plasmodium falciparum | |
0.000001 | - |
5-(3,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine | wild-type, pH 7.0, 25°C | Plasmodium falciparum | |
0.0000014 | - |
5-(3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine | mutant C59R/S108N, pH 7.0, 25°C | Plasmodium falciparum | |
0.0000016 | - |
5-(3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine | wild-type, pH 7.0, 25°C | Homo sapiens | |
0.0000025 | - |
methyl 4-[2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl]butanoate | wild-type, pH 7.0, 25°C | Homo sapiens | |
0.0000027 | - |
methyl 4-[2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl]butanoate | mutant N51I/C59R/S108N/I164L, pH 7.0, 25°C | Plasmodium falciparum | |
0.0000028 | - |
methyl 4-[2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl]butanoate | mutant C59R/S108N, pH 7.0, 25°C | Plasmodium falciparum | |
0.0000029 | - |
5-(4-chlorophenyl)-6-phenylpyrimidine-2,4-diamine | wild-type, pH 7.0, 25°C | Plasmodium falciparum | |
0.0000031 | - |
6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine | wild-type, pH 7.0, 25°C | Homo sapiens | |
0.0000033 | - |
5-(3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine | mutant N51I/C59R/S108N/I164L, pH 7.0, 25°C | Plasmodium falciparum | |
0.0000043 | - |
5-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidine-2,4-diamine | wild-type, pH 7.0, 25°C | Plasmodium falciparum | |
0.0000055 | - |
methyl 4-(2,6-diamino-5-phenylpyrimidin-4-yl)butanoate | mutant C59R/S108N, pH 7.0, 25°C | Plasmodium falciparum | |
0.0000087 | - |
methyl 4-(2,6-diamino-5-phenylpyrimidin-4-yl)butanoate | wild-type, pH 7.0, 25°C | Homo sapiens | |
0.0000126 | - |
5-(3,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine | mutant C59R/S108N, pH 7.0, 25°C | Plasmodium falciparum | |
0.0000153 | - |
5-(4-bromophenyl)-6-ethylpyrimidine-2,4-diamine | wild-type, pH 7.0, 25°C | Homo sapiens | |
0.0000241 | - |
methyl 4-(2,6-diamino-5-phenylpyrimidin-4-yl)butanoate | mutant N51I/C59R/S108N/I164L, pH 7.0, 25°C | Plasmodium falciparum | |
0.0000282 | - |
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine | wild-type, pH 7.0, 25°C | Homo sapiens | |
0.0000362 | - |
5-(4-chlorophenyl)-6-isopropylpyrimidine-2,4-diamine | wild-type, pH 7.0, 25°C | Homo sapiens | |
0.0000443 | - |
5-(4-bromophenyl)-6-ethylpyrimidine-2,4-diamine | mutant C59R/S108N, pH 7.0, 25°C | Plasmodium falciparum | |
0.0000494 | - |
5-(4-chlorophenyl)-6-propylpyrimidine-2,4-diamine | mutant C59R/S108N, pH 7.0, 25°C | Plasmodium falciparum | |
0.0000519 | - |
5-(4-chlorophenyl)-6-propylpyrimidine-2,4-diamine | wild-type, pH 7.0, 25°C | Homo sapiens | |
0.0000534 | - |
5-(3,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine | mutant N51I/C59R/S108N/I164L, pH 7.0, 25°C | Plasmodium falciparum | |
0.0000539 | - |
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine | mutant C59R/S108N, pH 7.0, 25°C | Plasmodium falciparum | |
0.000086 | - |
6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine | mutant C59R/S108N, pH 7.0, 25°C | Plasmodium falciparum | |
0.000099 | - |
5-(4-chlorophenyl)-6-isobutylpyrimidine-2,4-diamine | mutant C59R/S108N, pH 7.0, 25°C | Plasmodium falciparum | |
0.000113 | - |
5-(4-chlorophenyl)-6-isopropylpyrimidine-2,4-diamine | mutant C59R/S108N, pH 7.0, 25°C | Plasmodium falciparum | |
0.0001291 | - |
5-(4-chlorophenyl)-6-isobutylpyrimidine-2,4-diamine | wild-type, pH 7.0, 25°C | Homo sapiens | |
0.0002473 | - |
5-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidine-2,4-diamine | wild-type, pH 7.0, 25°C | Homo sapiens | |
0.000303 | - |
5-(4-bromophenyl)-6-ethylpyrimidine-2,4-diamine | mutant N51I/C59R/S108N/I164L, pH 7.0, 25°C | Plasmodium falciparum | |
0.000359 | - |
5-(4-chlorophenyl)-6-propylpyrimidine-2,4-diamine | mutant N51I/C59R/S108N/I164L, pH 7.0, 25°C | Plasmodium falciparum | |
0.000385 | - |
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine | mutant N51I/C59R/S108N/I164L, pH 7.0, 25°C | Plasmodium falciparum | |
0.000541 | - |
5-(4-chlorophenyl)-6-isopropylpyrimidine-2,4-diamine | mutant N51I/C59R/S108N/I164L, pH 7.0, 25°C | Plasmodium falciparum | |
0.0006 | - |
5-(4-chlorophenyl)-6-phenylpyrimidine-2,4-diamine | mutant C59R/S108N, pH 7.0, 25°C | Plasmodium falciparum | |
0.000617 | - |
6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine | mutant N51I/C59R/S108N/I164L, pH 7.0, 25°C | Plasmodium falciparum | |
0.000742 | - |
5-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidine-2,4-diamine | mutant C59R/S108N, pH 7.0, 25°C | Plasmodium falciparum | |
0.000798 | - |
5-(4-chlorophenyl)-6-isobutylpyrimidine-2,4-diamine | mutant N51I/C59R/S108N/I164L, pH 7.0, 25°C | Plasmodium falciparum | |
0.001576 | - |
5-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidine-2,4-diamine | mutant N51I/C59R/S108N/I164L, pH 7.0, 25°C | Plasmodium falciparum | |
0.003461 | - |
5-(4-chlorophenyl)-6-phenylpyrimidine-2,4-diamine | mutant N51I/C59R/S108N/I164L, pH 7.0, 25°C | Plasmodium falciparum |