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Literature summary for 2.7.1.148 extracted from

  • Hirsch, A.K.; Lauw, S.; Gersbach, P.; Schweizer, W.B.; Rohdich, F.; Eisenreich, W.; Bacher, A.; Diederich, F.
    Nonphosphate inhibitors of IspE protein, a kinase in the non-mevalonate pathway for isoprenoid biosynthesis and a potential target for antimalarial therapy (2007), ChemMedChem, 2, 806-810.
    View publication on PubMed

Application

Application Comment Organism
medicine potential target for antimalarial therapy Escherichia coli

Inhibitors

Inhibitors Comment Organism Structure
ethyl [4-amino-2-oxo-5-(3-[[(2,2,2-trifluoroethyl)sulfonyl]amino]prop-1-en-1-yl)pyrimidin-1(2H)-yl]acetate mixed type Escherichia coli
N-[3-(4-amino-1-benzyl-2-oxo-1,2-dihydropyrimidin-5-yl)prop-2-en-1-yl]ethanesulfonamide mixed-type Escherichia coli
N-[3-[4-amino-2-oxo-1-(1H-pyrazol-5-ylmethyl)-1,2-dihydropyrimidin-5-yl]prop-2-en-1-yl]ethanesulfonamide competitive Escherichia coli
N-[3-[4-amino-2-oxo-1-(tetrahydro-2-thienyl)-1,2-dihydropyrimidin-5-yl]prop-2-en-1-yl]-1,1,1-trifluoromethanesulfonamide competitive Escherichia coli
N-[3-[4-amino-2-oxo-1-(tetrahydro-2-thienyl)-1,2-dihydropyrimidin-5-yl]prop-2-en-1-yl]-2,2,2-trifluoroethanesulfonamide competitive Escherichia coli
N-[3-[4-amino-2-oxo-1-(tetrahydro-2-thienyl)-1,2-dihydropyrimidin-5-yl]prop-2-en-1-yl]benzenesulfonamide competitive Escherichia coli
N-[3-[4-amino-2-oxo-1-(tetrahydro-2-thienyl)-1,2-dihydropyrimidin-5-yl]prop-2-en-1-yl]cyclopropanesulfonamide competitive Escherichia coli
N-[3-[4-amino-2-oxo-1-(tetrahydro-2-thienyl)-1,2-dihydropyrimidin-5-yl]prop-2-en-1-yl]ethanesulfonamide competitive Escherichia coli
N-[3-[4-amino-2-oxo-1-(tetrahydro-2-thienyl)-1,2-dihydropyrimidin-5-yl]prop-2-en-1-yl]methanesulfonamide competitive Escherichia coli
N-[3-[4-amino-2-oxo-1-(tetrahydro-2-thienyl)-1,2-dihydropyrimidin-5-yl]prop-2-en-1-yl]propane-1-sulfonamide mixed-type Escherichia coli
N-[3-[4-amino-2-oxo-1-(tetrahydrofuran-2-ylmethyl)-1,2-dihydropyrimidin-5-yl]prop-2-en-1-yl]-2,2,2-trifluoroethanesulfonamide competitive Escherichia coli

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
ATP + 4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol Escherichia coli non-mevalonate pathway for isoprenoid biosynthesis ADP + 2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
-
?

Organism

Organism UniProt Comment Textmining
Escherichia coli
-
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
ATP + 4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
-
Escherichia coli ADP + 2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
-
?
ATP + 4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol non-mevalonate pathway for isoprenoid biosynthesis Escherichia coli ADP + 2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
-
?

Synonyms

Synonyms Comment Organism
4-diphosphocytidyl-2C-methyl-D-erythritol kinase
-
Escherichia coli
IspE
-
Escherichia coli

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.00029
-
N-[3-[4-amino-2-oxo-1-(tetrahydro-2-thienyl)-1,2-dihydropyrimidin-5-yl]prop-2-en-1-yl]cyclopropanesulfonamide competitive inhibition constant Escherichia coli
0.00036
-
N-[3-[4-amino-2-oxo-1-(tetrahydro-2-thienyl)-1,2-dihydropyrimidin-5-yl]prop-2-en-1-yl]-2,2,2-trifluoroethanesulfonamide competitive inhibition constant Escherichia coli
0.00064
-
N-[3-[4-amino-2-oxo-1-(tetrahydro-2-thienyl)-1,2-dihydropyrimidin-5-yl]prop-2-en-1-yl]ethanesulfonamide competitive inhibition constant Escherichia coli
0.0012
-
N-[3-[4-amino-2-oxo-1-(tetrahydro-2-thienyl)-1,2-dihydropyrimidin-5-yl]prop-2-en-1-yl]-1,1,1-trifluoromethanesulfonamide competitive inhibition constant Escherichia coli
0.0016
-
N-[3-[4-amino-2-oxo-1-(1H-pyrazol-5-ylmethyl)-1,2-dihydropyrimidin-5-yl]prop-2-en-1-yl]ethanesulfonamide competitive inhibition constant Escherichia coli
0.0026
-
N-[3-[4-amino-2-oxo-1-(tetrahydro-2-thienyl)-1,2-dihydropyrimidin-5-yl]prop-2-en-1-yl]methanesulfonamide competitive inhibition constant Escherichia coli
0.0037
-
N-[3-(4-amino-1-benzyl-2-oxo-1,2-dihydropyrimidin-5-yl)prop-2-en-1-yl]ethanesulfonamide competitive inhibition constant Escherichia coli
0.0042
-
ethyl [4-amino-2-oxo-5-(3-[[(2,2,2-trifluoroethyl)sulfonyl]amino]prop-1-en-1-yl)pyrimidin-1(2H)-yl]acetate competitive inhibition constant Escherichia coli
0.0082
-
N-[3-[4-amino-2-oxo-1-(tetrahydro-2-thienyl)-1,2-dihydropyrimidin-5-yl]prop-2-en-1-yl]propane-1-sulfonamide competitive inhibition constant Escherichia coli
0.0163
-
N-[3-[4-amino-2-oxo-1-(tetrahydro-2-thienyl)-1,2-dihydropyrimidin-5-yl]prop-2-en-1-yl]benzenesulfonamide competitive inhibition constant Escherichia coli
0.0323
-
N-[3-[4-amino-2-oxo-1-(tetrahydrofuran-2-ylmethyl)-1,2-dihydropyrimidin-5-yl]prop-2-en-1-yl]-2,2,2-trifluoroethanesulfonamide competitive inhibition constant Escherichia coli