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Information on EC 2.7.4.9 - dTMP kinase
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2.7.4.9 dTMP kinaseSpecify your search results
Word Map
The enzyme appears in viruses and cellular organisms
Synonyms
ATP: TMP phosphotransferase, Cdc8, deoxythymidine 5'-monophosphate kinase, deoxythymidine monophosphate kinase, dTMP kinase, dTMP kinases, dTMPK, human thymidine monophosphate kinase (hTMPK), kinase, thymidine monophosphate (phosphorylating), kinase, thymidylate (phosphorylating), 
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SYNONYM 
ORGANISM
UNIPROT
COMMENTARY 
LITERATURE
Cdc8
-
Cdc8 exhibits both deoxythymidine monophosphate and diphosphate kinase activities
deoxythymidine 5'-monophosphate kinase
-
-
-
-
deoxythymidine monophosphate kinase
dTMP kinase
dTMPK
-
-
-
-
kinase, thymidine monophosphate (phosphorylating)
-
-
-
-
kinase, thymidylate (phosphorylating)
-
-
-
-
thymidine 5'-monophosphate kinase
-
-
-
-
thymidine monophosphate kinase
thymidylate kinase
thymidylate monophosphate kinase
-
-
-
-
thymidylic acid kinase
-
-
-
-
thymidylic kinase
-
-
-
-
TMK
TMP kinase
TMPK
TMPKmt
TTHA1607
dTMP kinase
-
-
-
-
thymidine monophosphate kinase
-
-
-
-
thymidylate kinase
-
-
-
-
TMK
-
-
-
-
TMP kinase
-
-
-
-
TMPK
-
-
-
-
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REACTION
REACTION DIAGRAM
COMMENTARY
ORGANISM
UNIPROT
LITERATURE
ATP + dTMP = ADP + dTDP
addition of substrates to the enzyme is random, while release of the products is ordered
-
ATP + dTMP = ADP + dTDP
binding of D-dTMP is through a network of hydrogen bonds to the pyrimidine ring involving residues R70, S97, and Q101, and the base is stacked by residue Y66. The phosphate group is tightly coordinated by residues R34, D91, and R92
ATP + dTMP = ADP + dTDP
-
-
-
-
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REACTION TYPE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
phospho group transfer
-
-
-
-
Phosphorylation
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PATHWAY SOURCE
PATHWAYS
BRENDA
MetaCyc
pyrimidine deoxyribonucleotide phosphorylation, pyrimidine deoxyribonucleotides biosynthesis from CTP, pyrimidine deoxyribonucleotides de novo biosynthesis I, pyrimidine deoxyribonucleotides de novo biosynthesis II, pyrimidine deoxyribonucleotides de novo biosynthesis III, pyrimidine deoxyribonucleotides de novo biosynthesis IV, superpathway of pyrimidine deoxyribonucleotides de novo biosynthesis (E. coli)
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SYSTEMATIC NAME
IUBMB Comments
ATP:dTMP phosphotransferase
-
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CAS REGISTRY NUMBER
COMMENTARY
9014-43-1
-
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SUBSTRATE
PRODUCT
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate)
(Substrate)
LITERATURE
(Substrate)
(Substrate)
COMMENTARY
(Product)
(Product)
LITERATURE
(Product)
(Product)
Reversibility
r=reversible
ir=irreversible
?=not specified
r=reversible
ir=irreversible
?=not specified
ATP + (E)-5-(2-bromovinyl)-deoxyuridine monophosphate
?
5% of the TMP efficiency
-
-
?
ATP + 2',3'-didehydro-2',3'-dideoxythymidine 5'-monophosphate
ADP + 2',3'-didehydro-2',3'-dideoxythymidine 5'-diphosphate
ATP + 2',3'-dideoxy-2',3'-didehydrothymidine 5'-monophosphate
ADP + 2',3'-dideoxy-2',3'-didehydrothymidine 5'-diphosphate
-
-
-
?
ATP + 3'-amino-3'-deoxythymidine 5'-monophosphate
ADP + 3'-amino-3'-deoxythymidine 5'-diphosphate
-
-
-
?
ATP + 3'-azido-2',3'-dideoxythymidine monophosphate
ADP + 3'-azido-2',3'-dideoxythymidine diphosphate
-
-
-
?
ATP + 3'-azido-3'-deoxythymidine 5'-monophosphate
ADP + 3'-azido-3'-deoxythymidine 5'-diphosphate
ATP + 3'-azido-3'-deoxythymidine monophosphate
ADP + 3'-azido-3'-deoxythymidine diphosphate
ATP + 3'-fluoro-3'-deoxythymidine 5'-monophosphate
ADP + 3'-fluoro-3'-deoxythymidine 5'-diphosphate
-
-
-
?
ATP + 5-bromo-2'-deoxyuridine 5'-monophosphate
ADP + 5-bromo-2'-deoxyuridine 5'-diphosphate
ATP + 5-fluorodeoxyuridine 5'-monophosphate
ADP + 5-fluorodeoxyuridine 5'-diphosphate
poor substrate
-
-
?
ATP + 5-iodo-2'-dUMP
ADP + 5-iodo-2'-dUDP
-
60% of the maximal activity with dTMP
-
-
?
ATP + 5-iodo-dUMP
ADP + 5-iodo-dUDP
-
34% of the activity with dTMP
-
-
?
ATP + D-2'-fluoroarabinosyl-5-methyldeoxyuridine 5'-monophosphate
ADP + D-2'-fluoroarabinosyl-5-methyldeoxyuridine 5'-diphosphate
172% of the activity with dTMP
-
-
?
ATP + L-2'-fluoroarabinosyl-5-methyldeoxyuridine 5'-monophosphate
ADP + L-2'-fluoroarabinosyl-5-methyldeoxyuridine 5'-diphosphate
poor substrate
-
-
?
ATP + N1-[(E)-4-dihydroxyphosphonyl-but-2-enyl]-5-chlorouracil
ADP + ?
-
-
-
?
ATP + N1-[(E)-4-dihydroxyphosphonyl-but-2-enyl]-5-fluorouracil
ADP + ?
-
-
-
?
ATP + N1-[(E)-5-dihydroxyphosphonyl-pent-2-enyl]-5-bromouracil
ADP + ?
-
-
-
?
ATP + N1-[(E)-5-dihydroxyphosphonyl-pent-2-enyl]-5-chlorouracil
ADP + ?
-
-
-
?
ATP + N1-[(E)-5-dihydroxyphosphonyl-pent-2-enyl]-5-fluorouracil
ADP + ?
-
-
-
?
dTMP + ATP
dTDP + ADP
-
TMPK catalyzes the conversion of dTMP to dTDP, using ATP as its preferred phosphoryl donor. Part of the biosynthetic pathway for deoxythymidine triphosphate (dTTP).
-
-
?
thymidine monophosphate + ATP
thymidine diphosphate + ADP
-
Thymidylate kinase (TMK) (E.C. 2.7.4.9) is a member of the NMP kinase family and catalyzes the phosphoryl transfer from the preferred phosphoryl donor, ATP, to thymidine monophosphate (TMP), yielding thymidine diphosphate (TDP). The TMK reaction is positioned at the junction of the de novo and salvage pathway of thymidine triphosphate (dTTP) synthesis, with TMK being the last specific enzyme for dTTP synthesis.
-
-
?
ATP + 2',3'-didehydro-2',3'-dideoxythymidine 5'-monophosphate
ADP + 2',3'-didehydro-2',3'-dideoxythymidine 5'-diphosphate
-
-
-
-
?
ATP + 2',3'-didehydro-2',3'-dideoxythymidine 5'-monophosphate
ADP + 2',3'-didehydro-2',3'-dideoxythymidine 5'-diphosphate
-
-
-
?
ATP + 2',3'-didehydro-2',3'-dideoxythymidine 5'-monophosphate
ADP + 2',3'-didehydro-2',3'-dideoxythymidine 5'-diphosphate
-
-
-
-
?
ATP + 3'-azido-3'-deoxythymidine 5'-monophosphate
ADP + 3'-azido-3'-deoxythymidine 5'-diphosphate
-
good substrate
-
-
?
ATP + 3'-azido-3'-deoxythymidine 5'-monophosphate
ADP + 3'-azido-3'-deoxythymidine 5'-diphosphate
-
-
-
?
ATP + 3'-azido-3'-deoxythymidine 5'-monophosphate
ADP + 3'-azido-3'-deoxythymidine 5'-diphosphate
-
i.e. AZT
-
-
?
ATP + 3'-azido-3'-deoxythymidine 5'-monophosphate
ADP + 3'-azido-3'-deoxythymidine 5'-diphosphate
-
no activity
-
-
?
ATP + 3'-azido-3'-deoxythymidine 5'-monophosphate
ADP + 3'-azido-3'-deoxythymidine 5'-diphosphate
-
Vmax is 100 times lower than with dTMP
-
-
?
ATP + 3'-azido-3'-deoxythymidine monophosphate
ADP + 3'-azido-3'-deoxythymidine diphosphate
-
-
-
?
ATP + 3'-azido-3'-deoxythymidine monophosphate
ADP + 3'-azido-3'-deoxythymidine diphosphate
-
-
-
?
ATP + 3'-azido-3'-deoxythymidine monophosphate
ADP + 3'-azido-3'-deoxythymidine diphosphate
-
-
-
-
?
ATP + 3'-azido-3'-deoxythymidine monophosphate
ADP + 3'-azido-3'-deoxythymidine diphosphate
-
-
-
?
ATP + 5-bromo-2'-deoxyuridine 5'-monophosphate
ADP + 5-bromo-2'-deoxyuridine 5'-diphosphate
-
-
-
-
?
ATP + 5-bromo-2'-deoxyuridine 5'-monophosphate
ADP + 5-bromo-2'-deoxyuridine 5'-diphosphate
-
-
-
-
?
ATP + dGMP
ADP + dGDP
-
dGMP is unable to displace TMP from its binding site
-
-
r
ATP + dTMP
ADP + dTDP
-
-
-
-
?
ATP + dTMP
ADP + dTDP
-
involved in dTTP metabolism, essential for cell proliferation
-
-
?
ATP + dTMP
ADP + dTDP
-
involved in TTP metabolism, required for the activation of clinically relevant thymidine analogs such as anti-HIV and anti-cancer prodrugs
-
-
?
ATP + dTMP
ADP + dTDP
-
-
-
-
?
ATP + dTMP
ADP + dTDP
-
involved in dTTP metabolism, essential for cell proliferation
-
-
?
ATP + dTMP
ADP + dTDP
involved in dTTP metabolism, essential for cell proliferation
-
-
?
ATP + dTMP
ADP + dTDP
involved in dTTP metabolism, essential for cell proliferation
-
-
r
ATP + dTMP
ADP + dTDP
-
reaction in both the de novo and salvage pathways of dTTP synthesis
-
-
?
ATP + dTMP
ADP + dTDP
specificity to the natural substrates ATP and dTMP
-
-
?
ATP + dTMP
ADP + dTDP
specificity to the natural substrates ATP and dTMP
-
-
?
ATP + dUMP
ADP + dUDP
-
12% of the activity with dTMP
-
?
ATP + dUMP
ADP + dUDP
-
12% of the activity with dTMP
-
?
ATP + TMP
ADP + TDP
-
TMP is able to partially displace dGMP from the binding site
-
-
r
dATP + dTMP
dADP + dTDP
26.9% of the activity with ATP
-
-
?
dATP + dTMP
dADP + dTDP
26.9% of the activity with ATP
-
-
?
dGTP + dTMP
dGDP + dTDP
Escherichia coli B / ATCC 11303
-
about 10% of maximal activity with ATP
-
-
?
additional information
?
-
no substrate: 3'-azidothymidine 5'-monophosphate
-
-
?
additional information
?
-
-
no substrate: 3'-azidothymidine 5'-monophosphate
-
-
?
additional information
?
-
-
multifunctional enzyme which also phosphorylates pyrimidine nucleosides, pyrimidine nucleoside monophosphates, and several nucleoside analogues
-
-
?
additional information
?
-
Herpes simplex virus
-
multifunctional enzyme which also phosphorylates pyrimidine nucleosides, pyrimidine nucleoside monophosphates, and several nucleoside analogues
-
-
?
additional information
?
-
direct correlation between the rate of phosphorylation of an NMP and its ability to induce a closing of the enzymeâs phosphate-binding loop
-
-
?
additional information
?
-
-
direct correlation between the rate of phosphorylation of an NMP and its ability to induce a closing of the enzymeâs phosphate-binding loop
-
-
?
additional information
?
-
no activity with cidofovir, N1-[(E)-3-dihydroxyphosphonyl-prop-2-enyl]-uracil, N1-[(E)-3-dihydroxyphosphonyl-prop-2-enyl]-5-chlorouracil, N1-[(E)-3-dihydroxyphosphonyl-prop-2-enyl]-5-bromouracil, N1-[(E)-3-dihydroxyphosphonyl-prop-2-enyl]-5-fluoro-uracil, and N1-[(E)-3-dihydroxyphosphonyl-prop-2-enyl]-thymine
-
-
?
additional information
?
-
-
no activity with cidofovir, N1-[(E)-3-dihydroxyphosphonyl-prop-2-enyl]-uracil, N1-[(E)-3-dihydroxyphosphonyl-prop-2-enyl]-5-chlorouracil, N1-[(E)-3-dihydroxyphosphonyl-prop-2-enyl]-5-bromouracil, N1-[(E)-3-dihydroxyphosphonyl-prop-2-enyl]-5-fluoro-uracil, and N1-[(E)-3-dihydroxyphosphonyl-prop-2-enyl]-thymine
-
-
?
additional information
?
-
-
thymidine/thymidylate multifunctional kinase
-
-
?
additional information
?
-
-
Cdc8 does not phosphorylate dAMP, dGMP and dCMP
-
-
?
additional information
?
-
-
poxvirus thymidylate kinase can also accept bulky analogues such as dGMP or 5-bromo-vinyl-dUMP as substrates
-
-
?
additional information
?
-
-
sequential ordered bi-bi reaction mechanism. The enzyme additionally shows nucleoside-diphosphate kinase activity, reaction of EC 2.7.4.6, using dTDP as a substrate to produce dTTP
-
-
?
additional information
?
-
maximal activity is achieved at equimolar concentrations of ATP and Mg2+
-
-
?
additional information
?
-
maximal activity is achieved at equimolar concentrations of ATP and Mg2+
-
-
?
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NATURAL SUBSTRATE
NATURAL PRODUCT
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate)
(Substrate)
LITERATURE
(Substrate)
(Substrate)
COMMENTARY
(Product)
(Product)
LITERATURE
(Product)
(Product)
REVERSIBILITY
r=reversible
ir=irreversible
?=not specified
r=reversible
ir=irreversible
?=not specified
dTMP + ATP
dTDP + ADP
-
TMPK catalyzes the conversion of dTMP to dTDP, using ATP as its preferred phosphoryl donor. Part of the biosynthetic pathway for deoxythymidine triphosphate (dTTP).
-
-
?
thymidine monophosphate + ATP
thymidine diphosphate + ADP
-
Thymidylate kinase (TMK) (E.C. 2.7.4.9) is a member of the NMP kinase family and catalyzes the phosphoryl transfer from the preferred phosphoryl donor, ATP, to thymidine monophosphate (TMP), yielding thymidine diphosphate (TDP). The TMK reaction is positioned at the junction of the de novo and salvage pathway of thymidine triphosphate (dTTP) synthesis, with TMK being the last specific enzyme for dTTP synthesis.
-
-
?
ATP + dTMP
ADP + dTDP
-
involved in dTTP metabolism, essential for cell proliferation
-
-
?
ATP + dTMP
ADP + dTDP
-
involved in TTP metabolism, required for the activation of clinically relevant thymidine analogs such as anti-HIV and anti-cancer prodrugs
-
-
?
ATP + dTMP
ADP + dTDP
-
involved in dTTP metabolism, essential for cell proliferation
-
-
?
ATP + dTMP
ADP + dTDP
involved in dTTP metabolism, essential for cell proliferation
-
-
?
ATP + dTMP
ADP + dTDP
involved in dTTP metabolism, essential for cell proliferation
-
-
r
ATP + dTMP
ADP + dTDP
-
reaction in both the de novo and salvage pathways of dTTP synthesis
-
-
?
additional information
?
-
-
multifunctional enzyme which also phosphorylates pyrimidine nucleosides, pyrimidine nucleoside monophosphates, and several nucleoside analogues
-
-
?
additional information
?
-
Herpes simplex virus
-
multifunctional enzyme which also phosphorylates pyrimidine nucleosides, pyrimidine nucleoside monophosphates, and several nucleoside analogues
-
-
?
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COFACTOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
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METALS and IONS
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
Co2+
Mg2+
Mn2+
Ni2+
additional information
presence of a divalent cation is required. In presence of Ca2+, Cu2+, less than 10% of maximum activity, no activity with Zn2+
Mg2+
-
absolute requirement for divalent cation. When Mg2+ is equal to ATP, the rate of dTMP kinase reaction is maximal
Mg2+
-
requirement of a Mg2+:ATP ratio greater than 1.0 and for optimal activity there is a requirement of an additional 2-3 mM Mg2+ above the concentration of ATP
Mg2+
-
required, concentration range for maximal activity is From Mg:ATP ratios of 1 to 3 with an optimum around 1.3 to 1.5
Mg2+
bound to enzyme, displacement of Mg2+ is responsible for inhibitory effect of 3â-azido-3â-deoxythymidine 5'-monophosphate
Mg2+
bound to enzyme, displacement of Mg2+ might be responsible for inhibitory effect of the enzyme inhibitors
Mg2+
-
bound to enzyme, displacement of Mg2+ might be responsible for inhibitory effect of the enzyme inhibitors
Mg2+
-
activity is maximal in presence of 2-5 mM ATP and 10 mM MgCl2
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INHIBITOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
(+/-)(Z)-5-acetamido-1-(4-(thymin-1-yl)but-2-enyl)-5,6-dihydro-1H-imidazo[4,5,1-ij]quinolin-2(4H)-one
-
-
(+/-)(Z)-5-amino-1-(4-(thymin-1-yl)but-2-enyl)-5,6-dihydro-1H-imidazo[4,5,1-ij]quinolin-2(4H)-one
-
-
(3-chlorophenoxy)-4-((R)-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)propyl)benzoic acid
(3-chlorophenoxy)-4-((S)-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)propyl)benzoic acid
(3E)-4-[4-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]but-3-enoic acid
(4E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one
i.e. [6]-shogaol, isolated from Zingiber officinale
(R)-1-(1-(3-(3,4-dichlorophenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
(S)-1-(1-(3-(3,4-dichlorophenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
(S)-1-(1-(3-(3,5-dichlorophenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
(S)-1-(1-(3-(3-chloro-4-methylphenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
(S)-1-(1-(3-(3-chloro-5-fluorophenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
(S)-2-(3-bromophenoxy)-4-((3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)methyl)benzoic acid
(S)-2-(3-fluorophenoxy)-4-((3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)methyl)benzoic acid
(S)-4-((3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-piperidin-1-yl)methyl)-2-(m-tolyloxy)benzoic acid
(Z)-1-(4-(thymin-1-yl)but-2-enyl)-1H-benzo[c,d]indol-2(1H)one
-
(Z)-1-(4-(thymin-1-yl)but-2-enyl)-5,6-dihydro-1H-imidazo[4,5,1-ij]quinolin-2(4H)-one
-
-
(Z)-2-(4-(5-bromouracil-1-yl)but-2-enyl)-1H-benzo[d,e] isoquinoline-1,3(2H)-dione
-
(Z)-2-(4-(thymin-1-yl)but-2-enyl)-1H-benzo[d,e]isoquinoline-1,3(2H)-dione
-
(Z)-2-(4-(thymin-1-yl)but-2-enyl)-2,3-dihydro-1H-benzo-[d,e]isoquinolin-1-one
-
(Z)-2-(4-(thymin-1-yl)but-2-enyl)-2H-naphtho[1,8 cd]isothiazole-1,1-dioxide
-
(Z)-2-(4-(thymin-1-yl)but-2-enyl)-6-nitrobenzo[c,d]indol-2(1H)one
-
(Z)-8-acetamido-1-(4-(thymin-1-yl)but-2-enyl)-5,6-dihydro-1H-imidazo[4,5,1-ij]quinolin-2(4H)-one
-
-
(Z)-8-amino-1-(4-(thymin-1-yl)but-2-enyl)-5,6-dihydro-1H-imidazo[4,5,1-ij]quinolin-2(4H)-one
-
-
1,3-bis[[(2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]methyl]urea
-
1,3-bis[[(2S,3R,5R)-2-methyl-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]methyl]urea
1-(((2R,3S,5S)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)methyl)-3-(((2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)methyl)urea
-
-
1-((2R,4S,5R)-4-hydroxy-5-(2-(methylsulfonyl)ethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
1-((2R,4S,5R)-5-(2-(1H-tetrazol-5-yl)ethyl)-4-hydroxytetrahydrofuran-2-yl)-5-(hydroxymethyl)pyrimidine-2,4(1H,3H)-dione
-
-
1-((2R,4S,5R)-5-(2-(1H-tetrazol-5-yl)ethyl)-4-hydroxytetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
1-(1-(4-hydroxy-3-methoxyphenyl)-3-oxodecan-5-yl)-5-methylpyrimidine-2,4-(1H,3H)-dione
i.e. shogaol with thymine head group
1-(1-benzylpiperidin-4-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
1-(1-[[4-(3-chlorophenoxy)quinolin-2-yl]methyl]piperidin-4-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
1-(1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
1-(3,4-dichlorophenyl)-3-[[(2R,3R,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea
-
1-(3,4-dichlorophenyl)-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea
1-(3,4-dichlorophenyl)-3-[[(2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]methyl]thiourea
comparison with inhibition of human enzyme
1-(3-amino-3-deoxy-2-O,3-N-(thiocarbonyl)-beta-D-ribofuranosyl)thymine
-
IC99: 500 microg/ml
1-(3-aminomethyl-3,5-dideoxy-2-O,6-N-(thiocarbonyl)-beta-D-ribofuranosyl)thymine
-
IC99: 100 microg/ml
1-(3-chloro-4-trifluoromethylphenyl)-3-[[(2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]methyl]thiourea
1-(4-benzyloxyphenyl)-3-[[(2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]methyl]thiourea
comparison with inhibition of human enzyme
1-(4-bromobenzyl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
comparison with inhibition of human enzyme
1-(4-chlorophenyl)-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea
1-(4-chlorophenyl)-3-[[(2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]methyl]thiourea
comparison with inhibition of human enzyme
1-methyl-6-(pyrimidin-5-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one
-
1-[(1'R,4'S)-4'-((S)-2-fluoro-1-hydroxyethyl)cyclopent-2'-enyl]-1H-thymine
-
-
1-[(1R,2R,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
1-[(1R,2R,4R,5S)-4-(hydroxymethyl)-6-oxabicyclo[3.1.0]hex-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
1-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
1-[(2E)-4-(5,6-dimethoxy-1-oxo-1,3-dihydro-2H-isoindol-2-yl)but-2-en-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
inhibitor identified by 3D-QSAR pharmacophore generation
1-[(2E)-4-[5,6-bis(hydroxymethyl)-2-oxobenzo[cd]indol-1(2H)-yl]but-2-en-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
inhibitor identified by 3D-QSAR pharmacophore generation
1-[(2S,4S,5R)-5-(aminomethyl)-4-hydroxytetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
1-[(2S,4S,5R)-5-(azidomethyl)-4-hydroxytetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
1-[(2Z)-(4-(5-bromouracil-1-yl)but-2-enyl)]-5,6-dihydro-1H,4H-1,2,5-thiadiazolo[4,3,2-ij]quinolin-2,2-dioxide
-
-
1-[(2Z)-4-(1,1-dioxido-2H-naphtho[1,8-cd][1,2]thiazol-2-yl)but-2-en-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
1-[(4aR,5S,7R,7aR)-5-(hydroxymethyl)-2-oxohexahydro-2H-furo[3,4-e][1,3]oxazin-7-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
1-[(4aR,5S,7R,7aR)-5-(hydroxymethyl)-2-thioxohexahydro-2H-furo[3,4-e][1,3]oxazin-7-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
1-[(4aR,5S,7R,7aS)-5-(hydroxymethyl)-2-thioxohexahydro-2H-furo[3,4-e][1,3]oxazin-7-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
1-[(Z)-(4-(thymin-1-yl)but-2-enyl)]-5,6-dihydro-1H,4H-1,2,5-thiadiazolo[4,3,2-ij]quinolin-2,2-dioxide
-
-
1-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
1-[1-[(1-benzofuran-2-yl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
1-[1-[(7-chloro-4-phenoxyquinolin-2-yl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
1-[1-[(furan-2-yl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
1-[1-[(furan-3-yl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
1-[1-[(isoquinolin-1-yl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
1-[1-[(isoquinolin-3-yl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
1-[1-[(isoquinolin-4-yl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
1-[2,5-dideoxy-5-[([4-[(2-fluorophenyl)methoxy]phenyl]carbamoyl)amino]-alpha-D-erythro-pentofuranosyl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
1-[2,5-dideoxy-5-[([4-[(2-methoxyphenyl)methoxy]phenyl]carbamoyl)amino]-alpha-D-erythro-pentofuranosyl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
1-[2-ammonio-3-(4-hydroxyphenyl)propanoyl]-N-[1-(4-hydroxyphenyl)-3-oxoniopropan-2-yl]prolinamide
-
1-[2-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methoxy]ethyl]-3-phenylthiourea
-
1-[3-aminomethyl-3,5-dideoxy-2-O,6-N-(thiocarbonyl)-beta-D-ribofuranosyl]thymine
-
-
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methoxy]ethyl]thiourea
-
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]urea
-
1-[5-([[4-chloro-3-(trifluoromethyl)phenyl]carbamothioyl]amino)-2,5-dideoxy-a-D-erythro-pentofuranosyl]-5-methyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one
-
-
1-[5-[([4-[(2-chlorophenyl)methoxy]phenyl]carbamoyl)amino]-2,5-dideoxy-alpha-D-erythro-pentofuranosyl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
1-[N-[2-ammonio-3-(1H-indol-3-yl)propanoyl]tyrosyl]pyrrolidine-2-carboxylate
-
1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]-3-(4-methoxyphenyl)thiourea
-
1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]-3-(4-methylphenyl)thiourea
-
1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]-3-phenylthiourea
-
1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]-3-pyridin-3-ylthiourea
-
1-[[(2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]methyl]-3-phenylthiourea
-
2',5'-dideoxy-5'-(4-phenyl-1H-1,2,3-triazol-1-yl)-3,4-dihydrothymidine
-
-
2',5'-dideoxy-5'-([[3-(trifluoromethyl)phenyl]carbamoyl]amino)-3,4-dihydrothymidine
-
-
2-((2R,3S,5R)-3-((tert-butyldimethylsilyl)oxy)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)-N-methylethanesulfonamide
-
-
2-(3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-benzamido)acetic acid
-
2-(3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-benzamido)ethanesulfonic acid
-
2-(3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-benzamido)propanoic acid
-
2-(3-(3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzamido)propyl)benzoic acid
-
2-(3-bromophenoxy)-4-((R)-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)hexyl)benzoic acid
2-(3-bromophenoxy)-4-((R)-3-ethyl-3-methyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)pentyl)benzoic acid
2-(3-bromophenoxy)-4-((S)-3,3-dimethyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)butyl)benzoic acid
2-(3-bromophenoxy)-4-(R)-(2-(1-adamantane)-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)ethyl)benzoic acid
2-(3-chlorophenoxy)-3-methoxy-4-[(1S)-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]propyl]benzoic acid
-
2 g/ml MIC against methicillin-resistant Staphylococcus aureus. The compound exhibits a striking inverted chiral preference for binding relative to earlier compounds and also has improved physical properties and pharmacokinetics
2-(3-chlorophenoxy)-4-((R)-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)-2-(tetrahydro-2H-pyran-4-yl)ethyl)benzoic acid
2-(3-chlorophenoxy)-4-((R)-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)ethyl)benzoic acid
2-(3-chlorophenoxy)-4-((R)-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1-(2H)-yl)piperidin-1-yl)butyl)benzoic acid
2-(3-chlorophenoxy)-4-((R)-2-cyclohexyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)ethyl)benzoic acid
2-(3-chlorophenoxy)-4-((R)-3,3-dimethyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)hexyl)benzoic acid
2-(3-chlorophenoxy)-4-((R)-3,3-dimethyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)pentyl)benzoic acid
2-(3-chlorophenoxy)-4-((R)-3-ethyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)pentyl)benzoic acid
2-(3-chlorophenoxy)-4-((R)-3-methyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)butyl)benzoic acid
2-(3-chlorophenoxy)-4-((S)-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)butyl)benzoic acid
2-(3-chlorophenoxy)-4-((S)-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)ethyl)benzoic acid
2-(3-chlorophenoxy)-4-((S)-3-methyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)butyl)benzoic acid
2-([1-[2-ammonio-3-(1H-indol-3-yl)propanoyl]prolyl]amino)-3-(1H-indol-3-yl)propanoate
-
2-([1-[2-ammonio-3-(1H-indol-3-yl)propanoyl]prolyl]amino)-3-(4-methylphenyl)propanoate
-
2-([1-[2-ammonio-3-(1H-indol-3-yl)propanoyl]prolyl]amino)-3-hydroxypropanoate
-
2-([1-[2-ammonio-3-(1H-indol-3-yl)propanoyl]prolyl]amino)pentanedioate
-
2-([1-[2-ammonio-3-(4-hydroxyphenyl)propanoyl]prolyl]amino)-3-(1H-indol-3-yl)propanoate
-
2-([N-[2-ammonio-3-(1H-indol-3-yl)propanoyl]tyrosyl]amino)-3-(4-hydroxyphenyl)propanoate
-
2-([N-[2-ammonio-3-(1H-indol-3-yl)propanoyl]tyrosyl]amino)-3-hydroxybutanoate
-
2-([N-[2-ammonio-3-(1H-indol-3-yl)propanoyl]tyrosyl]amino)-3-hydroxypropanoate
-
2-([N-[2-ammonio-3-(1H-indol-3-yl)propanoyl]tyrosyl]amino)-4-carboxybutanoate
-
2-([N-[2-ammonio-3-(1H-indol-3-yl)propanoyl]tyrosyl]amino)butanedioate
-
2-benzyl-3-(3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]-pyridin-6-yl)benzamido)propanoic acid
-
2-[(4aS,5R,7R,7aR)-5-[5-(hydroxymethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]-2,2-dioxidooctahydrocyclopenta[c][1,2,6]thiadiazin-7-yl]-N-methylethanesulfonamide
-
-
2-[([1-[2-ammonio-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]methyl)amino]butanedioate
-
2-[([1-[2-ammonio-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]acetyl)amino]-3-hydroxybutanoate
-
2-[([1-[2-ammonio-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]acetyl)amino]-3-hydroxypropanoate
-
2-{[3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino}-4-phenylbutanoic acid
-
3'-(4-chlorophenyl-1,2,3-triazol-1-yl)-3'-deoxy-4-thio-beta-D-thymidine
-
-
3'-(4-chlorophenyl-1,2,3-triazol-1-yl)-3'-deoxy-alpha-D-thymidine
-
-
3'-([[(4-chlorophenyl)carbamothioyl]amino]methyl)-3'-deoxythymidine
-
3'-deoxy-3'-([[(3,4-dichlorophenyl)carbamothioyl]amino]methyl)thymidine
-
3'-deoxy-3'-([[(4-methoxyphenyl)carbamothioyl]amino]methyl)thymidine
-
3'-deoxy-3'-([[(4-methylphenyl)carbamothioyl]amino]methyl)thymidine
-
3'-[([[4-(benzyloxy)phenyl]carbamothioyl]amino)methyl]-3'-deoxythymidine
-
3'-[([[4-chloro-3-(trifluoromethyl)phenyl]carbamothioyl]amino)methyl]-2',3'-dideoxy-3,4-dihydrothymidine
-
-
3'-[([[4-chloro-3-(trifluoromethyl)phenyl]carbamothioyl]amino)methyl]-3'-deoxythymidine
-
3-((2R,3S,5R)-3-hydroxy-5-(5-(hydroxymethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)propanenitrile
-
-
3-((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)propanenitrile
-
-
3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-benzamide
-
3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-benzenesulfonamide
-
3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-benzonitrile
-
3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-N-(2-(pyridin-4-yl)ethyl)benzamide
-
3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-N-(3-(4-(trifluoromethyl)phenyl)propyl)benzamide
-
3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-N-(3-(pyridin-3-yl)propyl)benzamide
-
3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-N-(3-morpholinopropyl)benzamide
-
3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-N-(3-phenylpropyl)benzamide
-
3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-N-(pyridin-2-ylmethyl)benzamide
-
3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-N-phenethylbenzamide
-
3-(3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-benzamido)propanoic acid
-
3-(3-(3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzamido)propyl)benzoic acid
-
3-([1-[2-ammonio-3-(4-hydroxyphenyl)propanoyl]prolyl]amino)-4-oxoniobutanoate
-
4-((3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-piperidin-1-yl)methyl)-2-(3-(trifluoromethyl)phenoxy)benzoic acid
4-(1-methyl -2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-benzamide
-
4-(3-(3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzamido)propyl)benzoic acid
-
4-([1-[2-ammonio-3-(4-hydroxyphenyl)propanoyl]prolyl]amino)-5-oxoniopentanoate
-
4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid
compound shows showed cellular activity against Mycobacterium tuberculosis
4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid
compound shows showed cellular activity against Mycobacterium tuberculosis, MIC value above 32 microg/ml
4-[4-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]butanoic acid
-
comparison with inhibition of human enzyme
4-[[4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl]benzoic acid
-
4-[[4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl]benzonitrile
-
5'-(4-benzyl-1H-1,2,3-triazol-1-yl)-2',5'-dideoxy-3,4-dihydrothymidine
-
-
5'-(4-chlorophenyl-1,2,3-triazol-1-yl)-5'-deoxy-alpha-D-thymidine
-
-
5'-(4-chlorophenyl-1,2,3-triazol-1-yl)-5'-deoxy-beta-D-thymidine
-
-
5'-([[4-chloro-3-(trifluoromethyl)benzyl]carbamothioyl]amino)-5'-deoxythymidine
-
5'-([[4-chloro-3-(trifluoromethyl)phenyl]carbamothioyl]amino)-2',5'-dideoxy-3,4-dihydro-alpha-thymidine
-
-
5'-([[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]amino)-2',5'-dideoxy-3,4-dihydrothymidine
-
-
5'-deoxy-5'-([[2-(3,4-dichlorophenyl)ethyl]carbamothioyl]amino)thymidine
-
5'-deoxy-5'-[(tricyclo[3.3.1.13,7]dec-1-ylcarbamothioyl)amino]thymidine
-
5'-deoxy-5'-[2-(methylsulfonyl)benzenesulfonylamido]thymidine
-
91% inhibition
5'-deoxy-5'-[4-(4-fluorophenyl)-(1,2,3)triazol-1-yl]thymidine
-
87% inhibition of enzyme activity, inhibition of Bacillus anthracis Sterne growth
5'-deoxy-5'-[4-(methylsulfonyl)benzenesulfonylamido]thymidine
-
94% inhibition
5'-deoxy-5'-[[(2-phenylethyl)carbamothioyl]amino]thymidine
-
5'-deoxy-5'-[[(3,4-dichlorophenyl)carbamoyl]amino]thymidine
-
5'-deoxy-5'-[[(4-morpholin-4-ylphenyl)carbamothioyl]amino]thymidine
-
5'-deoxy-5'-[[(diphenylmethyl)carbamothioyl]amino]thymidine
-
5'-deoxy-5'-[[(phenylcarbonyl)carbamothioyl]amino]thymidine
-
5'-deoxy-5'-[[2-(methylthio)anilinothiocarbonyl]amino]thymidine
-
84% inhibition
5'-deoxy-5'-[[3-(methylthio)anilinothiocarbonyl]amino]thymidine
-
69% inhibition of enzyme activity, inhibition of Bacillus anthracis Sterne growth
5'-[([[9-(2-carboxyphenyl)-3-oxo-2,3-dihydro-1H-xanthen-6-yl]oxy]carbamothioyl)amino]-5'-deoxythymidine
-
5'-[4-(4-chlorophenyl)-1H-1,2,3-triazol-1-yl]-2',5'-dideoxy-3,4-dihydrothymidine
-
-
5'-[5-(2-aminobenzyl)-1H-1,2,3-triazol-1-yl]-2',5'-dideoxy-3,4-dihydrothymidine
-
-
5'-[5-amino-4-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-1-yl]-2',5'-dideoxy-3,4-dihydrothymidine
-
-
5-(5'-amino-5'-deoxy-beta-D-thymidin-5'-N-yl)-1-(4-chloro-3-trifluoromethylphenyl)-tetrazole
-
-
5-bromo-1-(1-(4-hydroxy-3-methoxyphenyl)-3-oxodecan-5-yl)-pyrimidine-2,4-(1H,3H)-dione
i.e. shogaol with bromouracil head group
5-methoxy-2-[(2E)-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)but-2-en-1-yl]-1H-isoindole-1,3(2H)-dione
inhibitor identified by 3D-QSAR pharmacophore generation
5-methyl-1-(1-(3-(3-(trifluoromethyl)phenoxy)benzyl)piperidin-3-yl)pyrimidine-2,4(1H,3H)-dione
5-methyl-1-(1-[[4-(1H-tetrazol-5-yl)phenyl]methyl]piperidin-4-yl)pyrimidine-2,4(1H,3H)-dione
-
5-methyl-1-(2-[methyl[(3-phenoxyphenyl)methyl]amino]ethyl)pyrimidine-2,4(1H,3H)-dione
-
5-methyl-1-[(2Z)-4-(2-oxobenzo[cd]indol-1(2H)-yl)but-2-en-1-yl]pyrimidine-2,4(1H,3H)-dione
-
-
5-methyl-1-[(3S)-1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4(1H,3H)-dione
-
5-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
5-methyl-1-[1-(3-phenoxybenzoyl)piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
5-methyl-1-[1-(4-phenoxybenzoyl)piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
5-methyl-1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
5-methyl-1-[1-[(3-phenoxyphenyl)methyl]azetidin-3-yl]pyrimidine-2,4(1H,3H)-dione
-
5-methyl-1-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
5-methyl-1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
5-methyl-1-[1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
5-methyl-1-[1-[(4-phenoxyquinolin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
5-methyl-1-[1-[(naphthalen-1-yl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
5-methyl-1-[1-[(naphthalen-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
5-methyl-1-[1-[(pyridin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
5-methyl-1-[1-[(pyridin-3-yl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
5-methyl-1-[1-[(pyridin-4-yl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
5-methyl-1-[1-[(quinolin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
5-methyl-1-[1-[(quinolin-3-yl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
5-methyl-1-[1-[(quinolin-4-yl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
5-methyl-1-[1-[2-(3-phenoxyphenyl)ethyl]azetidin-3-yl]pyrimidine-2,4(1H,3H)-dione
-
5-methyl-1-[1-[2-(3-phenoxyphenyl)ethyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
5-methyl-1-[1-[3-(3-phenoxyphenyl)propyl]azetidin-3-yl]pyrimidine-2,4(1H,3H)-dione
-
5-[4-[(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]pentanoic acid
-
comparison with inhibition of human enzyme
5-[[4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl]pyridine-2-carboxylic acid
-
6-(3-(aminomethyl)phenyl)-1-methyl-1H-imidazo[4,5-b]pyridin-2(3H)-one
-
6-(3-(hydroxymethyl)phenyl)-1-methyl-1H-imidazo[4,5-b]-pyridin-2(3H)-one
-
6-(3-acetylphenyl)-1-methyl-1H-imidazo[4,5-b]pyridin-2(3H)-one
-
6-(3-aminophenyl)-1-methyl-1H-imidazo[4,5-b]pyridin-2(3H)-one
-
6-(3-fluorophenyl)-1-methyl-1H-imidazo[4,5-b]pyridin-2(3H)-one
-
6-(3-hydroxyphenyl)-1-methyl-1H-imidazo[4,5-b]pyridin-2(3H)-one
-
6-(4-(aminomethyl)phenyl)-1-methyl-1H-imidazo[4,5-b]pyridin-2(3H)-one
-
6-(4-hydroxyphenyl)-1-methyl-1H-imidazo[4,5-b]pyridin-2(3H)-one
-
6-[4-[(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]hexanamide
-
comparison with inhibition of human enzyme
6-[4-[(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]hexanamide
-
comparison with inhibition of human enzyme
6-[4-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]hexanamide
-
comparison with inhibition of human enzyme
guanidine hydrochloride
guanidine hydrochloride-induced unfolding of thymidylate kinase is noncooperative and influences the functional properties of the enzyme much less than their Cm values. Complete inhibition at 0.4 M
methyl 2-(3-(3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]-pyridin-6-yl)benzamido)propyl)benzoate
-
N,N-dimethyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]-pyridin-6-yl)benzamide
-
N-((1H-benzo[d]imidazol-2-yl)methyl)-3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzamide
-
N-(2-(1H-benzo[d]imidazol-2-yl)ethyl)-3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzamide
-
N-(2-(1H-imidazol-5-yl)ethyl)-3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzamide
-
N-(2-amino-2-oxoethyl)-3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzamide
-
N-(2-aminoethyl)-3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo-[4,5-b]pyridin-6-yl)benzamide
-
N-(2-hydroxyethyl)-3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo-[4,5-b]pyridin-6-yl)benzamide
-
N-(3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)phenyl)acetamide
-
N-(3-(1H-imidazol-4-yl)propyl)-3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzamide
-
N-(3-(1H-indol-3-yl)propyl)-3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzamide
-
N-(3-(3-(aminomethyl)phenyl)propyl)-3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzamide
-
N-(3-(4-(aminomethyl)phenyl)propyl)-3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzamide
-
N-(3-(4-fluorophenyl)propyl)-3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzamide
-
N-(3-cyclopentylpropyl)-3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzamide
-
N-(5'-deoxy-4-thio-alpha-D-thymidin-5'-yl)-N'-(3-trifluoromethyl-4-chlorophenyl)thiourea
-
-
N-(5'-deoxy-alpha-thymidin-5'-yl)-N'-[4-(2-chlorobenzyloxy)phenyl]urea
-
N-(cyanomethyl)-3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo-[4,5-b]pyridin-6-yl)benzamide
-
N-benzyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]-pyridin-6-yl)benzamide
-
N-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]-pyridin-6-yl)benzamide
-
N-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]benzamide
-
Urea
urea-induced unfolding of thymidylate kinase is noncooperative and influences the functional properties of the enzyme much less than their Cm values. Complete inhibition at 1.0 M
[(1S,4R)-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopent-2-en-1-yl]methyl acetate
-
-
(3-chlorophenoxy)-4-((R)-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)propyl)benzoic acid
-
-
(3-chlorophenoxy)-4-((R)-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)propyl)benzoic acid
-
-
(3-chlorophenoxy)-4-((S)-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)propyl)benzoic acid
-
-
(3-chlorophenoxy)-4-((S)-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)propyl)benzoic acid
-
-
(3E)-4-[4-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]but-3-enoic acid
-
comparison with inhibition of Mycobacterium tuberculosis enzyme
(3E)-4-[4-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]but-3-enoic acid
-
comparison with inhibition of human enzyme
(R)-1-(1-(3-(3,4-dichlorophenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
(R)-1-(1-(3-(3,4-dichlorophenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
(R)-1-(1-(3-(4-chlorophenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
(R)-1-(1-(3-(4-chlorophenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
(S)-1-(1-(3-(3,4-dichlorophenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
(S)-1-(1-(3-(3,4-dichlorophenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
(S)-1-(1-(3-(3,5-dichlorophenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
(S)-1-(1-(3-(3,5-dichlorophenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
(S)-1-(1-(3-(3-bromophenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
(S)-1-(1-(3-(3-bromophenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
(S)-1-(1-(3-(3-chloro-4-methylphenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
(S)-1-(1-(3-(3-chloro-4-methylphenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
(S)-1-(1-(3-(3-chloro-5-fluorophenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
(S)-1-(1-(3-(3-chloro-5-fluorophenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
(S)-1-(1-(3-(3-chlorophenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
(S)-1-(1-(3-(3-chlorophenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
(S)-1-(1-(3-(3-fluorophenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
(S)-1-(1-(3-(3-fluorophenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
(S)-1-(1-(3-(4-chlorophenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
(S)-1-(1-(3-(4-chlorophenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
(S)-2-(3-bromophenoxy)-4-((3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)methyl)benzoic acid
-
-
(S)-2-(3-bromophenoxy)-4-((3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)methyl)benzoic acid
-
-
(S)-2-(3-fluorophenoxy)-4-((3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)methyl)benzoic acid
-
-
(S)-2-(3-fluorophenoxy)-4-((3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)methyl)benzoic acid
-
-
(S)-4-((3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-piperidin-1-yl)methyl)-2-(m-tolyloxy)benzoic acid
-
-
(S)-4-((3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-piperidin-1-yl)methyl)-2-(m-tolyloxy)benzoic acid
-
-
(S)-5-methyl-1-(1-(3-(m-tolyloxy)benzyl)piperidin-3-yl)-pyrimidine-2,4(1H,3H)-dione
-
-
(S)-5-methyl-1-(1-(3-(m-tolyloxy)benzyl)piperidin-3-yl)-pyrimidine-2,4(1H,3H)-dione
-
-
1,3-bis[[(2S,3R,5R)-2-methyl-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]methyl]urea
-
-
1,3-bis[[(2S,3R,5R)-2-methyl-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]methyl]urea
-
1-(1-(3-(4-chlorophenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
1-(1-(3-(4-chlorophenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
1-(1-(3-(4-methoxyphenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
1-(1-(3-(4-methoxyphenoxy)benzyl)piperidin-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
1-(3,4-dichlorophenyl)-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea
-
comparison with inhibition of Mycobacterium tuberculosis enzyme
1-(3,4-dichlorophenyl)-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea
comparison with inhibition of human enzyme
1-(3,4-dichlorophenyl)-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea
-
1-(3-chloro-4-trifluoromethylphenyl)-3-[[(2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]methyl]thiourea
-
comparison with inhibition of Mycobacterium tuberculosis enzyme
1-(3-chloro-4-trifluoromethylphenyl)-3-[[(2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]methyl]thiourea
comparison with inhibition of human enzyme
1-(4-chlorophenyl)-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea
-
comparison with inhibition of Mycobacterium tuberculosis enzyme
1-(4-chlorophenyl)-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea
comparison with inhibition of human enzyme
1-(4-chlorophenyl)-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea
-
1-[(1R,2R,4R,5S)-4-(hydroxymethyl)-6-oxabicyclo[3.1.0]hex-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
1-[(1R,2R,4R,5S)-4-(hydroxymethyl)-6-oxabicyclo[3.1.0]hex-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
1-[(4aR,5S,7R,7aR)-5-(hydroxymethyl)-2-oxohexahydro-2H-furo[3,4-e][1,3]oxazin-7-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
1-[(4aR,5S,7R,7aR)-5-(hydroxymethyl)-2-oxohexahydro-2H-furo[3,4-e][1,3]oxazin-7-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
1-[(4aR,5S,7R,7aR)-5-(hydroxymethyl)-2-thioxohexahydro-2H-furo[3,4-e][1,3]oxazin-7-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
1-[(4aR,5S,7R,7aR)-5-(hydroxymethyl)-2-thioxohexahydro-2H-furo[3,4-e][1,3]oxazin-7-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
1-[(4aR,5S,7R,7aR)-5-(hydroxymethyl)-2-thioxohexahydro-2H-furo[3,4-e][1,3]oxazin-7-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
-
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea
-
comparison with inhibition of Mycobacterium tuberculosis enzyme
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea
comparison with inhibition of human enzyme
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea
-
2-(3-bromophenoxy)-4-((R)-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)hexyl)benzoic acid
-
-
2-(3-bromophenoxy)-4-((R)-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)hexyl)benzoic acid
-
-
2-(3-bromophenoxy)-4-((R)-3-ethyl-3-methyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)pentyl)benzoic acid
-
-
2-(3-bromophenoxy)-4-((R)-3-ethyl-3-methyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)pentyl)benzoic acid
-
-
2-(3-bromophenoxy)-4-((S)-3,3-dimethyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)butyl)benzoic acid
-
-
2-(3-bromophenoxy)-4-((S)-3,3-dimethyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)butyl)benzoic acid
-
-
2-(3-bromophenoxy)-4-(R)-(2-(1-adamantane)-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)ethyl)benzoic acid
-
-
2-(3-bromophenoxy)-4-(R)-(2-(1-adamantane)-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)ethyl)benzoic acid
-
-
2-(3-chlorophenoxy)-4-((R)-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)-2-(tetrahydro-2H-pyran-4-yl)ethyl)benzoic acid
-
-
2-(3-chlorophenoxy)-4-((R)-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)-2-(tetrahydro-2H-pyran-4-yl)ethyl)benzoic acid
-
-
2-(3-chlorophenoxy)-4-((R)-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)ethyl)benzoic acid
-
-
2-(3-chlorophenoxy)-4-((R)-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)ethyl)benzoic acid
-
-
2-(3-chlorophenoxy)-4-((R)-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1-(2H)-yl)piperidin-1-yl)butyl)benzoic acid
-
-
2-(3-chlorophenoxy)-4-((R)-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1-(2H)-yl)piperidin-1-yl)butyl)benzoic acid
-
-
2-(3-chlorophenoxy)-4-((R)-2-cyclohexyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)ethyl)benzoic acid
-
-
2-(3-chlorophenoxy)-4-((R)-2-cyclohexyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)ethyl)benzoic acid
-
-
2-(3-chlorophenoxy)-4-((R)-3,3-dimethyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)hexyl)benzoic acid
-
-
2-(3-chlorophenoxy)-4-((R)-3,3-dimethyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)hexyl)benzoic acid
-
-
2-(3-chlorophenoxy)-4-((R)-3,3-dimethyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)pentyl)benzoic acid
-
-
2-(3-chlorophenoxy)-4-((R)-3,3-dimethyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)pentyl)benzoic acid
-
-
2-(3-chlorophenoxy)-4-((R)-3-ethyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)pentyl)benzoic acid
-
-
2-(3-chlorophenoxy)-4-((R)-3-ethyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)pentyl)benzoic acid
-
-
2-(3-chlorophenoxy)-4-((R)-3-methyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)butyl)benzoic acid
-
-
2-(3-chlorophenoxy)-4-((R)-3-methyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)butyl)benzoic acid
-
-
2-(3-chlorophenoxy)-4-((S)-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)butyl)benzoic acid
-
-
2-(3-chlorophenoxy)-4-((S)-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)butyl)benzoic acid
-
-
2-(3-chlorophenoxy)-4-((S)-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)ethyl)benzoic acid
-
-
2-(3-chlorophenoxy)-4-((S)-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)ethyl)benzoic acid
-
-
2-(3-chlorophenoxy)-4-((S)-3-methyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)butyl)benzoic acid
-
-
2-(3-chlorophenoxy)-4-((S)-3-methyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)butyl)benzoic acid
-
-
3'-azido-3'-deoxythymidine
specific inhibitory effect on the enzyme activity, and these effect is in good association with binding interactions and the scoring functions
3'-azido-3'-deoxythymidine 5'-monophosphate
-
potent competitive inhibitor
3'-azido-3'-deoxythymidine 5'-monophosphate
potential inhibitor
3'-azido-3'-deoxythymidine 5'-monophosphate
potential inhibitor of the bacterial enzyme, not inhibitory in human
4-((3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-piperidin-1-yl)methyl)-2-(3-(trifluoromethyl)phenoxy)benzoic acid
-
-
4-((3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-piperidin-1-yl)methyl)-2-(3-(trifluoromethyl)phenoxy)benzoic acid
-
-
4-[4-[(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]butanamide
-
not inhibitory up to 2 mM, inhibitory to Mycobacterium tuberculosis enzyme
4-[4-[(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]butanamide
-
comparison with inhibition of human enzyme
4-[4-[(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]butanoic acid
-
comparison with inhibition of Mycobacterium tuberculosis enzyme
4-[4-[(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]butanoic acid
-
comparison with inhibition of human enzyme
4-[4-[(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]butanamide
-
not inhibitory up to 2 mM, inhibitory to Mycobacterium tuberculosis enzyme
4-[4-[(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]butanamide
-
comparison with inhibition of human enzyme
4-[4-[(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]butanoic acid
-
comparison with inhibition of Mycobacterium tuberculosis enzyme
4-[4-[(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]butanoic acid
-
comparison with inhibition of human enzyme
5-bromo-2'-deoxyuridine
-
potential inhibitor with high selectivity between bacterial and human enzyme
5-bromo-2'-deoxyuridine
specific inhibitory effect on the enzyme activity, and these effect is in good association with binding interactions and the scoring functions
5-chloro-2'-deoxyuridine
-
potential inhibitor with high selectivity between bacterial and human enzyme
5-chloro-2'-deoxyuridine
specific inhibitory effect on the enzyme activity, and these effect is in good association with binding interactions and the scoring functions
5-fluoro-2'-deoxyuridine
-
potential inhibitor with high selectivity between bacterial and human enzyme
5-iodo-2'-deoxyuridine
-
potential inhibitor with high selectivity between bacterial and human enzyme
5-methyl-1-(1-(3-(3-(trifluoromethyl)phenoxy)benzyl)piperidin-3-yl)pyrimidine-2,4(1H,3H)-dione
-
-
5-methyl-1-(1-(3-(3-(trifluoromethyl)phenoxy)benzyl)piperidin-3-yl)pyrimidine-2,4(1H,3H)-dione
-
-
5-methyl-1-[1-(3-phenoxybenzyl)piperidin-3-yl]pyrimidine-2,4(1H,3H)-dione
-
-
5-methyl-1-[1-(3-phenoxybenzyl)piperidin-3-yl]pyrimidine-2,4(1H,3H)-dione
-
-
5-methyl-1-[1-[3-(4-methylphenoxy)benzyl]piperidin-3-yl]-pyrimidine-2,4(1H,3H)-dione
-
-
5-methyl-1-[1-[3-(4-methylphenoxy)benzyl]piperidin-3-yl]-pyrimidine-2,4(1H,3H)-dione
-
-
5-[4-[(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]pentanoic acid
-
comparison with inhibition of Mycobacterium tuberculosis enzyme
5-[4-[(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]pentanoic acid
-
comparison with inhibition of human enzyme
ADP
-
ADP*Mg2+ product inhibition, competitive versus MgATP2-, noncompetitive versus thymidylate
deoxythymidine
-
potential inhibitor with high selectivity between bacterial and human enzyme
N-(3,4-dichlorophenyl)-N'-(5'-deoxy-alpha-D-thymidin-5'-yl)-urea
-
comparison with inhibition of Mycobacterium tuberculosis enzyme
N-(3,4-dichlorophenyl)-N'-(5'-deoxy-alpha-D-thymidin-5'-yl)-urea
comparison with inhibition of human enzyme
N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(3,4-dichlorophenylethyl)thiourea
-
comparison with inhibition of Mycobacterium tuberculosis enzyme
N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(3,4-dichlorophenylethyl)thiourea
comparison with inhibition of human enzyme
N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(3-trifluoromethyl-4-chlorobenzyl)thiourea
-
comparison with inhibition of Mycobacterium tuberculosis enzyme
N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(3-trifluoromethyl-4-chlorobenzyl)thiourea
comparison with inhibition of human enzyme
N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(4-chloro-3-(trifluoromethyl)phenylethyl)urea
-
comparison with inhibition of Mycobacterium tuberculosis enzyme
N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(4-chloro-3-(trifluoromethyl)phenylethyl)urea
comparison with inhibition of human enzyme
TK-666
-
i.e. 2-(3-bromophenoxy)-4-((R)-3,3-dimethyl-1-((S)-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1-(2H)-yl)piperidin-1-yl)butyl)benzoic acid
TK-666
-
i.e. 2-(3-bromophenoxy)-4-((R)-3,3-dimethyl-1-((S)-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1-(2H)-yl)piperidin-1-yl)butyl)benzoic acid
additional information
-
3â-azido-3â-deoxythymidine monophosphate is not inhibitory, various thymine derivatives tested and found to inhibit activity to different extents
-
additional information
-
acyclic nucleoside analogues (Z)-2-(4-(thymin-1-yl)but-2-enyl)-1H-benzo[d,e]isoquinoline-1,3(2H)-dione and (Z)-2-(4-(thymin-1-yl)but-2-enyl)-2,3-dihydro-1H-benzo-[d,e]isoquinolin-1-one are not inhibitory up to 0.02 mM
-
additional information
several different TMP analogues tested and found to be inhibitory
-
additional information
-
several different TMP analogues tested and found to be inhibitory
-
additional information
3'-(aminomethyl)-3'-deoxy-2'-fluorothymidine is not inhibitory at 1 mM; 3â-azido-3â-deoxythymidine monophosphate is not inhibitory, various thymine derivatives tested and found to inhibit activity to different extents
-
additional information
-
3'-(aminomethyl)-3'-deoxy-2'-fluorothymidine is not inhibitory at 1 mM; 3â-azido-3â-deoxythymidine monophosphate is not inhibitory, various thymine derivatives tested and found to inhibit activity to different extents
-
additional information
-
not inhibited by N-(5'-deoxy-4-thio-alpha-D-thymidin-5'-yl)-N'-phenylthiourea
-
additional information
-
not inhibited by 3-((2R,3S,5R)-3-hydroxy-5-(5-(hydroxymethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)propanenitrile and 1-((2R,4S,5R)-5-(2-(1H-tetrazol-5-yl)ethyl)-4-hydroxytetrahydrofuran-2-yl)-5-(hydroxymethyl)pyrimidine-2,4(1H,3H)-dione
-
additional information
-
not inhibitory: 2-mercaptoethanol up to 5 mM, AMP, CMP, dCMP, GMP and dGMP and
-
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ACTIVATING COMPOUND
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
additional information
-
freezing at -70°C and then thawing results in an increase in activity
-
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DISEASE
TITLE OF PUBLICATION
LINK TO PUBMED
Anthrax
Synthesis and biological evaluation of inhibitors of thymidine monophosphate kinase from Bacillus anthracis.
Ataxia Telangiectasia
Thymidylate kinase is critical for DNA repair via ATM-dependent Tip60 complex formation.
Carcinoma, Hepatocellular
Growth inhibition of Kirkman-Robbins hepatoma by 1-(1,3-dihydroxy-2-propoxymethyl)-5,6-tetramethyleneuracil and possible mechanism of its biological activity.
Carcinoma, Hepatocellular
Metabolism of 5-fluorouracil in sensitive and resistant tumor cells.
Carcinoma, Hepatocellular
Purification and properties of thymidine monophosphate kinase from mouse hepatoma.
Colonic Neoplasms
Synthetic lethality by lentiviral short hairpin RNA silencing of thymidylate kinase and doxorubicin in colon cancer cells regardless of the p53 status.
Embryo Loss
Enzymatic activities leading to pyrimidine nucleotide biosynthesis from cell-free extracts of Rickettsia typhi.
Herpes Simplex
An optimized thymidylate kinase assay, based on enzymatically synthesized 5-[125I]iododeoxyuridine monophosphate and its application to an immunological study of herpes simplex virus thymidine-thymidylate kinases.
HIV Infections
Decrease in thymidylate kinase activity in peripheral blood mononuclear cells from HIV-infected individuals.
Hypersensitivity
Substitution of an alanine residue for glycine 146 in TMP kinase from Escherichia coli is responsible for bacterial hypersensitivity to bromodeoxyuridine.
Infections
Vaccinia virus encodes a thymidylate kinase gene: sequence and transcriptional mapping.
Latent Infection
Low levels of herpes simplex virus thymidine- thymidylate kinase are not limiting for sensitivity to certain antiviral drugs or for latency in a mouse model.
Neoplasms
Activities of various enzymes of pyrimidine nucleotide and DNA syntheses in normal and neoplastic human tissues.
Neoplasms
An optimized thymidylate kinase assay, based on enzymatically synthesized 5-[125I]iododeoxyuridine monophosphate and its application to an immunological study of herpes simplex virus thymidine-thymidylate kinases.
Neoplasms
Crystal structure of poxvirus thymidylate kinase: an unexpected dimerization has implications for antiviral therapy.
Neoplasms
Growth inhibition of Kirkman-Robbins hepatoma by 1-(1,3-dihydroxy-2-propoxymethyl)-5,6-tetramethyleneuracil and possible mechanism of its biological activity.
Neoplasms
Metabolism of pyrimidine nucleotides in various tissues and tumor cells from rodents.
Neoplasms
The engineered thymidylate kinase (TMPK)/AZT enzyme-prodrug axis offers efficient bystander cell killing for suicide gene therapy of cancer.
Neoplasms
Tumor cells require thymidylate kinase to prevent dUTP incorporation during DNA repair.
Neuroblastoma
Human dTMP kinase: gene expression and enzymatic activity coinciding with cell cycle progression and cell growth.
Prostatic Neoplasms
The engineered thymidylate kinase (TMPK)/AZT enzyme-prodrug axis offers efficient bystander cell killing for suicide gene therapy of cancer.
Pseudorabies
Equine herpes virus 1 and pseudorabies virus resistance to 2'-fluoropyrimidine analogs and to bromovinyldeoxyuridine: implications for dTMP kinase activity.
Tuberculosis
1-(1-Arylethylpiperidin-4-yl)thymine Analogs as Antimycobacterial TMPK Inhibitors.
Tuberculosis
1-(Piperidin-3-yl)thymine amides as inhibitors of M. tuberculosis thymidylate kinase.
Tuberculosis
3'-C-branched-chain-substituted nucleosides and nucleotides as potent inhibitors of Mycobacterium tuberculosis thymidine monophosphate kinase.
Tuberculosis
3D-QSAR studies on antitubercular thymidine monophosphate kinase inhibitors based on different alignment methods.
Tuberculosis
A new family of inhibitors of Mycobacterium tuberculosis thymidine monophosphate kinase.
Tuberculosis
A virtual screening approach for thymidine monophosphate kinase inhibitors as antitubercular agents based on docking and pharmacophore models.
Tuberculosis
Comparative study of purine and pyrimidine nucleoside analogues acting on the thymidylate kinases of Mycobacterium tuberculosis and of humans.
Tuberculosis
Computer-assisted combinatorial design of bicyclic thymidine analogs as inhibitors of Mycobacterium tuberculosis thymidine monophosphate kinase.
Tuberculosis
Design of Mycobacterium tuberculosis thymidine monophosphate kinase inhibitors.
Tuberculosis
Design of Thymidine Analogues Targeting Thymidilate Kinase of Mycobacterium tuberculosis.
Tuberculosis
Design, synthesis and inhibitory activity against Mycobacterium tuberculosis thymidine monophosphate kinase of acyclic nucleoside analogues with a distal imidazoquinolinone.
Tuberculosis
Discovery of bicyclic thymidine analogues as selective and high-affinity inhibitors of Mycobacterium tuberculosis thymidine monophosphate kinase.
Tuberculosis
Drug design and identification of potent leads against Mycobacterium tuberculosis thymidine monophosphate kinase.
Tuberculosis
Enzymatic and structural analysis of inhibitors designed against Mycobacterium tuberculosis thymidylate kinase. New insights into the phosphoryl transfer mechanism.
Tuberculosis
Exploring acyclic nucleoside analogues as inhibitors of Mycobacterium tuberculosis thymidylate kinase.
Tuberculosis
Identification of novel antimycobacterial chemical agents through the in silico multi-conformational structure-based drug screening of a large-scale chemical library.
Tuberculosis
Knowledge based identification of potent antitubercular compounds using structure based virtual screening and structure interaction fingerprints.
Tuberculosis
Mycobacterium tuberculosis thymidylate kinase: structural studies of intermediates along the reaction pathway.
Tuberculosis
Optimization of Structure Based Virtual Screening Protocols Against Thymidine Monophosphate Kinase Inhibitors as Antitubercular Agents.
Tuberculosis
Pharmacophore optimization and design of competitive inhibitors of Thymidine Monophosphate Kinase through molecular modeling studies.
Tuberculosis
Rational Design and 3D-Pharmacophore Mapping of 5'-Thiourea-Substituted alpha-Thymidine Analogues as Mycobacterial TMPK Inhibitors.
Tuberculosis
Rational Design of 5'-Thiourea-Substituted alpha-Thymidine Analogues as Thymidine Monophosphate Kinase Inhibitors Capable of Inhibiting Mycobacterial Growth.
Tuberculosis
Structural and chemical basis for enhanced affinity to a series of mycobacterial thymidine monophosphate kinase inhibitors: fragment-based QSAR and QM/MM docking studies.
Tuberculosis
Structure Guided Lead Generation toward Nonchiral M. tuberculosis Thymidylate Kinase Inhibitors.
Tuberculosis
Structure-based in-silico rational design of a selective peptide inhibitor for thymidine monophosphate kinase of mycobacterium tuberculosis.
Tuberculosis
Substituted benzyl-pyrimidines targeting thymidine monophosphate kinase of Mycobacterium tuberculosis: synthesis and in vitro anti-mycobacterial activity.
Tuberculosis
Synthesis and biological evaluation of bicyclic nucleosides as inhibitors of M. tuberculosis thymidylate kinase.
Tuberculosis
Synthesis and evaluation of 5'-modified thymidines and 5-hydroxymethyl-2'-deoxyuridines as Mycobacterium tuberculosis thymidylate kinase inhibitors.
Tuberculosis
Synthesis and Evaluation of 6-Aza-2'-deoxyuridine Monophosphate Analogs as Inhibitors of Thymidylate Synthases, and as Substrates or Inhibitors of Thymidine Monophosphate Kinase in Mycobacterium tuberculosis.
Tuberculosis
Synthesis and evaluation of thymidine-5'-O-monophosphate analogues as inhibitors of Mycobacterium tuberculosis thymidylate kinase.
Tuberculosis
Synthesis and inhibitory activity of thymidine analogues targeting Mycobacterium tuberculosis thymidine monophosphate kinase.
Tuberculosis
Synthesis of sulfamide analogues of deoxthymidine monophosphate as potential inhibitors of mycobacterial cell wall biosynthesis.
Tuberculosis
Tetrahydro-2-furanyl-2,4(1H,3H)-pyrimidinedione derivatives as novel antibacterial compounds against
Tuberculosis
Thymidine and thymidine-5'-O-monophosphate analogues as inhibitors of Mycobacterium tuberculosis thymidylate kinase.
Tuberculosis
X-ray structure of TMP kinase from Mycobacterium tuberculosis complexed with TMP at 1.95 A resolution.
Vaccinia
Crystal structure of poxvirus thymidylate kinase: an unexpected dimerization has implications for antiviral therapy.
Vaccinia
Molecular cloning and expression of the human deoxythymidylate kinase gene in yeast.
Vaccinia
Phosphorylation of dGMP analogs by vaccinia virus TMP kinase and human GMP kinase.
Vaccinia
Preventing the return of smallpox: molecular modeling studies on thymidylate kinase from Variola virus.
Vaccinia
Vaccinia virus encodes a thymidylate kinase gene: sequence and transcriptional mapping.
Vaccinia
Vaccinia virus encodes an active thymidylate kinase that complements a cdc8 mutant of Saccharomyces cerevisiae.
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KM VALUE [mM]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.01
5-bromo-dUMP
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
0.0044
D-2'-fluoroarabinosyl-5-methyldeoxyuridine 5'-monophosphate
pH 7.6, 37°C
0.167
L-2'-fluoroarabinosyl-5-methyldeoxyuridine 5'-monophosphate
pH 7.6, 37°C
1
N1-[(E)-3-dihydroxyphosphonyl-prop-2-enyl]-thymine
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
1
N1-[(E)-4-dihydroxyphosphonyl-but-2-enyl]-5-fluorouracil
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
0.024
N1-[(E)-4-dihydroxyphosphonyl-but-2-enyl]-thymine
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
1.7
N1-[(E)-4-dihydroxyphosphonyl-but-2-enyl]-uracil
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
0.16
N1-[(E)-5-dihydroxyphosphonyl-pent-2-enyl]-5-bromouracil
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
0.15
N1-[(E)-5-dihydroxyphosphonyl-pent-2-enyl]-5-chlorouracil
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
1.9
N1-[(E)-5-dihydroxyphosphonyl-pent-2-enyl]-5-fluorouracil
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
0.1
N1-[(E)-5-dihydroxyphosphonyl-pent-2-enyl]-thymine
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
2.5
N1-[(E)-5-dihydroxyphosphonyl-pent-2-enyl]-uracil
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
0.012
2',3'-didehydro-2',3'-dideoxythymidine 5'-monophosphate
pH 7.5, 25°C
0.22
2',3'-didehydro-2',3'-dideoxythymidine 5'-monophosphate
-
pH 7.4, 30°C
0.0038
3'-azido-3'-deoxythymidine monophosphate
pH and temperature not specified in the publication, mutant enzyme F105Y
0.0045
3'-azido-3'-deoxythymidine monophosphate
pH 7.4, temperature not specified in the publication, NADH coupled assay
0.012
3'-azido-3'-deoxythymidine monophosphate
pH and temperature not specified in the publication, wild-type enzyme
0.08
5-bromo-2'-deoxyuridine 5'-monophosphate
-
pH 7.4, 30°C, wild-type enzyme
0.28
5-bromo-2'-deoxyuridine 5'-monophosphate
-
pH 7.4, 30°C, mutant enzyme G146A
0.027
ATP
pH 7.5, 25°C, reaction with 3'-fluoro-3'-deoxythymidine 5'-monophosphate
0.033
ATP
pH 7.5, 25°C, reaction with 2',3'-didehydro-2',3'-dideoxythymidine 5'-monophosphate
0.066
ATP
pH 7.4, temperature not specified in the publication
0.069
ATP
pH 7.5, 25°C, reaction with 3'-azido-3'-deoxythymidine 5'-monophosphate
0.1008
ATP
-
wild-type enzyme, pH 7.4, temperature not specified in the publication
0.00107
dGMP
pH 7.4, temperature not specified in the publication, NADH coupled assay
0.0362
dGMP
-
wild-type enzyme, pH 7.4, temperature not specified in the publication
0.0476
dGMP
-
mutant enzyme S108A, pH 7.4, temperature not specified in the publication
0.0784
dGMP
-
mutant enzyme S108T, pH 7.4, temperature not specified in the publication
0.0969
dGMP
-
mutant enzyme Y153F, pH 7.4, temperature not specified in the publication
0.0045
dTMP
-
in 50 mM Tris-HCl pH 7.4, 50 mM KCl, 2 mM MgCl2, temperature not specified in the publication
0.017
dTMP
pH 7.4, temperature not specified in the publication
0.02
dTMP
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
0.17
dUMP
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
0.02
N1-[(E)-4-dihydroxyphosphonyl-but-2-enyl]-5-chlorouracil
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
0.13
N1-[(E)-4-dihydroxyphosphonyl-but-2-enyl]-5-chlorouracil
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
0.0042
TMP
pH and temperature not specified in the publication, mutant enzyme F105Y
0.0062
TMP
pH 7.4, temperature not specified in the publication, NADH coupled assay
0.0063
TMP
pH and temperature not specified in the publication, wild-type enzyme
0.0242
TMP
-
mutant enzyme S108T, pH 7.4, temperature not specified in the publication
0.0255
TMP
-
wild-type enzyme, pH 7.4, temperature not specified in the publication
0.0258
TMP
-
mutant enzyme S108A, pH 7.4, temperature not specified in the publication
0.0659
TMP
-
mutant enzyme Y153F, pH 7.4, temperature not specified in the publication
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TURNOVER NUMBER [1/s]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.09
2',3'-didehydro-2',3'-dideoxythymidine 5'-monophosphate
pH 7.5, 25°C
1.2
5-bromo-dUMP
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
0.6
N1-[(E)-3-dihydroxyphosphonyl-prop-2-enyl]-thymine
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
0.73
N1-[(E)-4-dihydroxyphosphonyl-but-2-enyl]-5-fluorouracil
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
0.84
N1-[(E)-4-dihydroxyphosphonyl-but-2-enyl]-thymine
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
0.48
N1-[(E)-4-dihydroxyphosphonyl-but-2-enyl]-uracil
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
0.058
N1-[(E)-5-dihydroxyphosphonyl-pent-2-enyl]-5-bromouracil
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
0.1
N1-[(E)-5-dihydroxyphosphonyl-pent-2-enyl]-5-chlorouracil
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
0.09
N1-[(E)-5-dihydroxyphosphonyl-pent-2-enyl]-5-fluorouracil
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
0.32
N1-[(E)-5-dihydroxyphosphonyl-pent-2-enyl]-thymine
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
0.074
N1-[(E)-5-dihydroxyphosphonyl-pent-2-enyl]-uracil
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
0.003
3'-azido-3'-deoxythymidine 5'-monophosphate
-
wild-type enzyme fused to the protein transduction domain of Tat
0.17
3'-azido-3'-deoxythymidine 5'-monophosphate
-
mutant F105Y fused to the protein transduction domain of Tat
1.5
3'-azido-3'-deoxythymidine 5'-monophosphate
-
mutant carrying a substitution of the LID domain in human enzyme by the Escherichia coli LID sequence and mutation of the P-loop Arg residue to Gly and fused to the protein transduction domain of Tat
1.7
3'-azido-3'-deoxythymidine 5'-monophosphate
-
mutant carrying a substitution of the LID domain in human enzyme by the Escherichia coli LID sequence and mutation of the P-loop Arg residue to Gly
0.012
3'-azido-3'-deoxythymidine monophosphate
pH and temperature not specified in the publication, wild-type enzyme
0.25
3'-azido-3'-deoxythymidine monophosphate
pH and temperature not specified in the publication, mutant enzyme F105Y
0.3
3'-azido-3'-deoxythymidine monophosphate
pH 7.4, temperature not specified in the publication, NADH coupled assay
0.5
3'-azido-3'-deoxythymidine monophosphate
pH 7.4, temperature not specified in the publication, NMR assay
3.3
ATP
-
wild-type enzyme, pH 7.4, temperature not specified in the publication
38.1
ATP
pH 7.4, temperature not specified in the publication
0.006
dGMP
pH 7.4, temperature not specified in the publication, NMR assay
0.008
dGMP
pH 7.4, temperature not specified in the publication, NADH coupled assay
1
dGMP
-
mutant enzyme Y153F, pH 7.4, temperature not specified in the publication
1.3
dGMP
-
mutant enzyme S108A, pH 7.4, temperature not specified in the publication
1.3
dGMP
-
mutant enzyme S108T, pH 7.4, temperature not specified in the publication
2.4
dGMP
-
wild-type enzyme, pH 7.4, temperature not specified in the publication
0.83
dTMP
-
mutant carrying a substitution of the LID domain in human enzyme by the Escherichia coli LID sequence and mutation of the P-loop Arg residue to Gly and fused to the protein transduction domain of Tat
1.1
dTMP
-
mutant carrying a substitution of the LID domain in human enzyme by the Escherichia coli LID sequence and mutation of the P-loop Arg residue to Gly
3
dTMP
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
4.8
dUMP
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
0.5
N1-[(E)-4-dihydroxyphosphonyl-but-2-enyl]-5-chlorouracil
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
0.9
N1-[(E)-4-dihydroxyphosphonyl-but-2-enyl]-5-chlorouracil
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
0.17
TMP
pH and temperature not specified in the publication, mutant enzyme F105Y
0.73
TMP
pH and temperature not specified in the publication, wild-type enzyme
1.2
TMP
-
mutant enzyme Y153F, pH 7.4, temperature not specified in the publication
3.1
TMP
-
wild-type enzyme, pH 7.4, temperature not specified in the publication
3.2
TMP
-
mutant enzyme S108T, pH 7.4, temperature not specified in the publication
3.3
TMP
-
mutant enzyme S108A, pH 7.4, temperature not specified in the publication
6.9
TMP
pH 7.4, temperature not specified in the publication, NADH coupled assay
8.7
TMP
pH 7.4, temperature not specified in the publication, NMR assay
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
kcat/KM VALUE [1/mMs-1]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
120
5-bromo-dUMP
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
28
dUMP
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
0.6
N1-[(E)-3-dihydroxyphosphonyl-prop-2-enyl]-thymine
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
0.73
N1-[(E)-4-dihydroxyphosphonyl-but-2-enyl]-5-fluorouracil
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
35
N1-[(E)-4-dihydroxyphosphonyl-but-2-enyl]-thymine
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
0.28
N1-[(E)-4-dihydroxyphosphonyl-but-2-enyl]-uracil
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2