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Literature summary for 2.7.1.74 extracted from

  • Murphy, J.M.; Armijo, A.L.; Nomme, J.; Lee, C.H.; Smith, Q.A.; Li, Z.; Campbell, D.O.; Liao, H.I.; Nathanson, D.A.; Austin, W.R.; Lee, J.T.; Darvish, R.; Wei, L.; Wang, J.; Su, Y.; Damoiseaux, R.; Sadeghi, S.; Phelps, M.E.; Herschman, H.R.; Czernin, J.; Alexandrova, A.N.; Jung, M.E.; Lavie, A.; Radu, C.G.
    Development of new deoxycytidine kinase inhibitors and noninvasive in vivo evaluation using positron emission tomography (2013), J. Med. Chem., 56, 6696-6708.
    View publication on PubMedView publication on EuropePMC

Crystallization (Commentary)

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

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/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
ATP + deoxycytidine Homo sapiens
-
ADP + dCMP
-
?

Organism

Organism UniProt Comment Textmining
Homo sapiens P27707
-
-

Substrates and Products (Substrate)

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

Synonyms Comment Organism
dCK
-
Homo sapiens

Ki Value [mM]

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 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