2.7.4.22: UMP kinase
This is an abbreviated version!
For detailed information about UMP kinase, go to the full flat file.
Reaction
Synonyms
ATP:UMP phosphotransferase, HP0777 protein, More, pyrH, Rv2883c, SsUMPK, UMP kinase, UMP-kinase, UMPK, UMPKs, uridine monophosphate kinase, uridylate kinase, XC1936
ECTree
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Inhibitors
Inhibitors on EC 2.7.4.22 - UMP kinase
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1-[([5-oxo-4-[(2R)-tetrahydrofuran-2-ylmethyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl)acetyl]piperidine-4-carboxylic acid
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2-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-[1-(2-methoxybenzyl)-1H-pyrazol-5-yl]acetamide
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2-amino-8-(2-oxo-2-phenylethoxy)-1,4,5,9-tetrahydro-6H-purin-6-one
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10 micromol, 60 min, room temperature, 75% inhibition, crystal enzyme complex structure, overview
2-amino-8-hydroxy-1,4,5,9-tetrahydro-6H-purin-6-one
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10 micromol, 60 min, room temperature, 18% inhibition
2-amino-8-[2-(2-methylphenyl)-2-oxoethoxy]-1,4,5,9-tetrahydro-6H-purin-6-one
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10 micromol, 60 min, room temperature, 48% inhibition
2-amino-8-[2-(3-methylphenyl)-2-oxoethoxy]-1,4,5,9-tetrahydro-6H-purin-6-one
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10 micromol, 60 min, room temperature, 77% inhibition
2-amino-8-[2-(4-fluorophenyl)-2-oxoethoxy]-1,4,5,9-tetrahydro-6H-purin-6-one
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10 micromol, 60 min, room temperature, 73% inhibition
2-amino-8-[2-(4-hydroxyphenyl)-2-oxoethoxy]-1,4,5,9-tetrahydro-6H-purin-6-one
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10 micromol, 60 min, room temperature, 77% inhibition
2-amino-8-[2-(4-methoxyphenyl)-2-oxoethoxy]-1,4,5,9-tetrahydro-6H-purin-6-one
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10 micromol, 60 min, room temperature, 74% inhibition
2-amino-8-[2-(4-methylphenyl)-2-oxoethoxy]-1,4,5,9-tetrahydro-6H-purin-6-one
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10 micromol, 60 min, room temperature, 80% inhibition
4-[(2-amino-6-oxo-4,5,6,9-tetrahydro-1H-purin-8-yl)methyl]benzonitrile
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10 micromol, 60 min, room temperature, 53% inhibition, crystal enzyme complex structure, overview
4-[2-amino-4-(4-chlorophenyl)-7-oxo-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]butanoic acid
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4-[2-amino-4-(4-methoxyphenyl)-7-oxo-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]butanoic acid
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4-[[(2-amino-6-oxo-4,5,6,9-tetrahydro-1H-purin-8-yl)oxy]acetyl]benzonitrile
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10 micromol, 60 min, room temperature, 68% inhibition
5-[(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylsulfanyl)methyl]furan-2-carboxylic acid
hydrogen bonding interactions of ZINC12561276 molecule with the active site residues of Mtb-UMPK homology model, overview
N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(methylsulfonyl)amino]methyl]tetrahydrofuran-2-yl]-N-methylacetamide
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N6-[(4-nitrophenyl)methyl]-N2-[[3-(trifluoromethyl)phenyl]methyl]-1H-purine-2,6-diamine
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phosphate
phosphate-inhibited UpUMPK activity with an IC50 value of 1 mM, the molar content of phosphate in the soluble UMPK is 4%
5-fluoro-UTP
at 0.6mM 5-fluoro-UTP, the enzyme activity is decreased by 40%
GTP
when 0.5 M GTP is added in the reaction mixture the affinity of the enzyme towards its UMP substrate decreases almost by 3folds. GTP increases the affinity of ATP towards the enzyme
UMP
excess UMP at high concentrations, UTP deminishes this inhibition
UMP
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excess UMP at high concentrations, UTP deminishes this inhibition
UMP
excess UMP at high concentrations, UTP deminishes this inhibition
Q81S73
UTP inhibition, but not GTP activation, is sensitive to Mg2+ levels
UTP
the inhibitory effect is maximal at pH 8 and a low (0.1 mM) UMP concentration
UTP
0.25 mM, 0.5 mM, GTP, UMP and high concentrations of Mg2+ protects against inhibition by UTP, decreases the affinity for ATP, inhibition only without Mg2+
UTP
Mg-free competitive cooperative inhibitor, the inhibition is reversible by GTP. UTP and GTP are tightly coupled in both wild-type enzyme and N140A variant
UTP
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0.25 mM, 0.5 mM, GTP, UMP and high concentrations of Mg2+ protects against inhibition by UTP, decreases the affinity for ATP, inhibition only without Mg2+
UTP
43% inhibition at 0.38 mM, 51.2% inhibition at 0.53 mM. About 21% of UMP kinase activity remains at 0.94-1.33 mM of UTP
UTP
0.25 mM, 0.5 mM, UMP protects against inhibition by UTP, decreases the affinity for ATP, inhibition only without Mg2+
UTP
binds the enzyme, competitive inhibitor for both substrates; feedback inhibition, competitive inhibitor against both substrates
UTP
an end-product inhibitor competitive against UMP and noncompetitive towards ATP; UTP is a competitive inhibitor against UMP and a noncompetitive inhibitor towards ATP, the positive cooperativity behavior with ATP is altered by the presence of UTP
additional information
structure-based inhibitor design, inhibitor screening and molecular docking study
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additional information
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structure-based inhibitor design, inhibitor screening and molecular docking study
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