Crystallization (Comment) | Organism |
---|---|
in complex with inhibitors 2-(((2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)methyl)thio)pyrimidine-4,6-diamine and 1-(5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)-2-methylpropan-2-ol , hanging drop vapor diffusion method, using 0.9-1.5 M trisodium citrate dehydrate and 25 mM HEPES (pH 7.5), at 12°C | Homo sapiens |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
1-(5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)-2-methylpropan-2-ol | - |
Homo sapiens | |
1-[5-(4-[[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl]-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]propan-2-ol | - |
Homo sapiens | |
2,2'-[[4-(4-[[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl]-5-propyl-1,3-thiazol-2-yl)-1,2-phenylene]bis(oxy)]di(ethan-1-ol) | - |
Homo sapiens | |
2-(((2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)methyl)thio)pyrimidine-4,6-diamine | - |
Homo sapiens | |
2-(((2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-propylthiazol-4-yl)methyl)thio)pyrimidine-4,6-diamine | - |
Homo sapiens | |
2-([[2-(3,5-difluorophenyl)-1,3-thiazol-4-yl]methyl]sulfanyl)pyrimidine-4,6-diamine | - |
Homo sapiens | |
2-([[2-(3-fluorophenyl)-1,3-thiazol-4-yl]methyl]sulfanyl)pyrimidine-4,6-diamine | - |
Homo sapiens | |
2-([[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]sulfanyl)pyrimidine-4,6-diamine | - |
Homo sapiens | |
2-([[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]sulfanyl)pyrimidine-4,6-diamine | - |
Homo sapiens | |
2-([[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]sulfanyl)pyrimidine-4,6-diamine | - |
Homo sapiens | |
2-([[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]sulfanyl)pyrimidine | - |
Homo sapiens | |
2-([[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]sulfanyl)pyrimidine-4,6-diamine | - |
Homo sapiens | |
2-([[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]sulfanyl)pyrimidine-4,6-diamine | - |
Homo sapiens | |
2-([[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]sulfanyl)pyrimidine-4,6-diamine | - |
Homo sapiens | |
2-[([2-[3-(2-fluoroethoxy)-4-(fluoromethoxy)phenyl]-1,3-thiazol-4-yl]methyl)sulfanyl]pyrimidine-4,6-diamine | - |
Homo sapiens | |
2-[([2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl]methyl)sulfanyl]pyrimidine-4,6-diamine | - |
Homo sapiens | |
2-[([2-[3-(2-fluoroethoxy)-4-methylphenyl]-1,3-thiazol-4-yl]methyl)sulfanyl]pyrimidine-4,6-diamine | - |
Homo sapiens | |
2-[([2-[3-(3-fluoropropoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl]methyl)sulfanyl]pyrimidine-4,6-diamine | - |
Homo sapiens | |
2-[([2-[4-(2-fluoroethoxy)-2-methoxyphenyl]-1,3-thiazol-4-yl]methyl)sulfanyl]pyrimidine-4,6-diamine | - |
Homo sapiens | |
2-[([2-[4-(2-fluoroethoxy)-3-methoxyphenyl]-1,3-thiazol-4-yl]methyl)sulfanyl]pyrimidine-4,6-diamine | - |
Homo sapiens | |
2-[([2-[4-ethoxy-3-(2-fluoroethoxy)phenyl]-1,3-thiazol-4-yl]methyl)sulfanyl]pyrimidine-4,6-diamine | - |
Homo sapiens | |
2-[([2-[5-(2-fluoroethoxy)-2-methoxyphenyl]-1,3-thiazol-4-yl]methyl)sulfanyl]pyrimidine-4,6-diamine | - |
Homo sapiens | |
2-[3-(4-[[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl]-5-propyl-1,3-thiazol-2-yl)-5-fluorophenoxy]ethan-1-ol | - |
Homo sapiens | |
2-[3-(4-[[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl]-5-propyl-1,3-thiazol-2-yl)phenoxy]ethan-1-ol | - |
Homo sapiens | |
2-[5-(4-[[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl]-5-propyl-1,3-thiazol-2-yl)-2-fluorophenoxy]ethan-1-ol | - |
Homo sapiens | |
2-[5-(4-[[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl]-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethan-1-ol | - |
Homo sapiens | |
2-[5-(4-[[(4-aminopyrimidin-2-yl)sulfanyl]methyl]-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethan-1-ol | - |
Homo sapiens | |
2-[[(2-phenyl-1,3-thiazol-4-yl)methyl]sulfanyl]pyrimidine | - |
Homo sapiens | |
3-[5-(4-[[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl]-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]propan-1-ol | - |
Homo sapiens | |
5-(4-[[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl]-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenol | - |
Homo sapiens | |
N-(2-(5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)ethyl)methanesulfonamide | - |
Homo sapiens | |
N-[2-[3-(4-[[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl]-5-propyl-1,3-thiazol-2-yl)-5-fluorophenoxy]ethyl]methanesulfonamide | - |
Homo sapiens | |
N-[2-[3-(4-[[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl]-5-propyl-1,3-thiazol-2-yl)phenoxy]ethyl]methanesulfonamide | - |
Homo sapiens |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
ATP + deoxycytidine | Homo sapiens | - |
ADP + dCMP | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | P27707 | - |
- |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
ATP + 1-(2'-deoxy-2'-fluoro-beta-D-arabinofuranosyl)cytosine | - |
Homo sapiens | ADP + 1-(2'-deoxy-2'-fluoro-beta-D-arabinofuranosyl)cytosine 5'-phosphate | - |
? | |
ATP + deoxycytidine | - |
Homo sapiens | ADP + dCMP | - |
? |
Synonyms | Comment | Organism |
---|---|---|
dCK | - |
Homo sapiens |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
0.0000005 | - |
N-(2-(5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)ethyl)methanesulfonamide | at pH 7.6 and 37°C | Homo sapiens | |
0.0000008 | - |
1-(5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)-2-methylpropan-2-ol | at pH 7.6 and 37°C | Homo sapiens | |
0.0000015 | - |
2-(((2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-propylthiazol-4-yl)methyl)thio)pyrimidine-4,6-diamine | at pH 7.6 and 37°C | Homo sapiens | |
0.0000095 | - |
2-(((2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)methyl)thio)pyrimidine-4,6-diamine | at pH 7.6 and 37°C | Homo sapiens |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.00112 | - |
at pH 7.6 and 37°C | Homo sapiens | 2-([[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]sulfanyl)pyrimidine-4,6-diamine | |
0.00167 | - |
at pH 7.6 and 37°C | Homo sapiens | 2-([[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]sulfanyl)pyrimidine-4,6-diamine | |
0.00176 | - |
at pH 7.6 and 37°C | Homo sapiens | 2-([[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]sulfanyl)pyrimidine-4,6-diamine | |
0.00202 | - |
at pH 7.6 and 37°C | Homo sapiens | 2-([[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]sulfanyl)pyrimidine-4,6-diamine | |
0.00232 | - |
at pH 7.6 and 37°C | Homo sapiens | 2-([[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]sulfanyl)pyrimidine-4,6-diamine | |
0.1 | - |
IC50 above 0.1 mM, at pH 7.6 and 37°C | Homo sapiens | 2-[[(2-phenyl-1,3-thiazol-4-yl)methyl]sulfanyl]pyrimidine | |
0.1 | - |
IC50 above 0.1 mM, at pH 7.6 and 37°C | Homo sapiens | 2-([[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]sulfanyl)pyrimidine |