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Enzyme Nomenclature
Information on EC 2.7.4.9 - dTMP kinase
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The enzyme appears in viruses and cellular organisms
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EC NUMBER 
COMMENTARY 
2.7.4.9
-
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RECOMMENDED NAME
GeneOntology No.
dTMP kinase
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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
BRENDA Link
KEGG Link
MetaCyc Link
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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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ORGANISM
COMMENTARY
LITERATURE
UNIPROT
SEQUENCE DB
SOURCE
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641085, 645189, 645193, 645206, 645208, 661477, 662597, 662794, 691226, 691610, 691813, 692491, 693440, 693534, 694282, 701680, 705442, 739488
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-
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Uniprot
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GENERAL INFORMATION
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
physiological function
physiological function
-
the enzyme is critical for the synthesis of the thymidine triphosphate precursor necessary for DNA synthesis
physiological function
-
thymidylate kinase is a key enzyme in the control of nucleotide metabolism and synthesis of DNA
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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
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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
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Vmax is 100 times lower than with dTMP
-
-
?
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
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dGMP is unable to displace TMP from its binding site
-
-
r
ATP + dTMP
ADP + dTDP
-
-
-
-
?
ATP + dTMP
ADP + dTDP
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involved in dTTP metabolism, essential for cell proliferation
-
-
?
ATP + dTMP
ADP + dTDP
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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
-
-
r
ATP + dTMP
ADP + dTDP
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reaction in both the de novo and salvage pathways of dTTP synthesis
-
-
?
ATP + dUMP
ADP + dUDP
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12% of the activity with dTMP
-
?
ATP + dUMP
ADP + dUDP
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12% of the activity with dTMP
-
?
ATP + TMP
ADP + TDP
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TMP is able to partially displace dGMP from the binding site
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-
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
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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
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multifunctional enzyme which also phosphorylates pyrimidine nucleosides, pyrimidine nucleoside monophosphates, and several nucleoside analogues
-
-
-
additional information
?
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direct correlation between the rate of phosphorylation of an NMP and its ability to induce a closing of the enzyme‘s 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
?
-
-
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 SUBSTRATES
NATURAL PRODUCTS
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
-
-
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 3’-azido-3’-deoxythymidine 5'-monophosphate
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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INHIBITORS
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)-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-(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-[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-[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
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'-[[(4-morpholin-4-ylphenyl)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-[(2Z)-4-(2-oxobenzo[cd]indol-1(2H)-yl)but-2-en-1-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
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-(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-[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 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
-
3’-azido-3’-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
-
3'-(aminomethyl)-3'-deoxy-2'-fluorothymidine is not inhibitory at 1 mM; 3’-azido-3’-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
-
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
ACTIVATING COMPOUND
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
additional information
-
freezing at -70°C and then thawing results in an increase in activity
-
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
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
0.08
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
0.0045
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
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
TURNOVER NUMBER [1/s]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
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
38.1
ATP
-
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
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
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
0.36
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
0.66
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
0.047
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
3.2
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
0.03
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
577
ATP
-
pH 7.4, temperature not specified in the publication
150
dTMP
-
at 37°C in 50 mM Tris-HCl, pH 7.4, containing 50 mM KCl and 5 mM MgCl2
2240
dTMP
-
pH 7.4, temperature not specified in the publication
4.1
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
45
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
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Ki VALUE [mM]
INHIBITOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.0058
(+/-)(Z)-5-acetamido-1-(4-(thymin-1-yl)but-2-enyl)-5,6-dihydro-1H-imidazo[4,5,1-ij]quinolin-2(4H)-one
-
in 50 mM Tris-HCl pH 7.4, 50 mM KCl, 2 mM MgCl2, temperature not specified in the publication
0.00707
(+/-)(Z)-5-amino-1-(4-(thymin-1-yl)but-2-enyl)-5,6-dihydro-1H-imidazo[4,5,1-ij]quinolin-2(4H)-one
-
in 50 mM Tris-HCl pH 7.4, 50 mM KCl, 2 mM MgCl2, temperature not specified in the publication
0.039 - 0.252
(3E)-4-[4-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]but-3-enoic acid
0.0108
(4E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one
-
pH 7.4, temperature not specified in the publication
0.00042
(Z)-1-(4-(thymin-1-yl)but-2-enyl)-1H-benzo[c,d]indol-2(1H)one
-
pH 7.4
0.00116
(Z)-1-(4-(thymin-1-yl)but-2-enyl)-5,6-dihydro-1H-imidazo[4,5,1-ij]quinolin-2(4H)-one
-
in 50 mM Tris-HCl pH 7.4, 50 mM KCl, 2 mM MgCl2, temperature not specified in the publication
0.0011
(Z)-2-(4-(5-bromouracil-1-yl)but-2-enyl)-1H-benzo[d,e] isoquinoline-1,3(2H)-dione
-
pH 7.4
0.0019
(Z)-2-(4-(thymin-1-yl)but-2-enyl)-1H-benzo[d,e]isoquinoline-1,3(2H)-dione
-
pH 7.4
0.0014
(Z)-2-(4-(thymin-1-yl)but-2-enyl)-2,3-dihydro-1H-benzo-[d,e]isoquinolin-1-one
-
pH 7.4
0.00027
(Z)-2-(4-(thymin-1-yl)but-2-enyl)-2H-naphtho[1,8 cd]isothiazole-1,1-dioxide
-
pH 7.4
0.00075
(Z)-2-(4-(thymin-1-yl)but-2-enyl)-6-nitrobenzo[c,d]indol-2(1H)one
-
pH 7.4
0.00093
(Z)-8-acetamido-1-(4-(thymin-1-yl)but-2-enyl)-5,6-dihydro-1H-imidazo[4,5,1-ij]quinolin-2(4H)-one
-
in 50 mM Tris-HCl pH 7.4, 50 mM KCl, 2 mM MgCl2, temperature not specified in the publication
0.00246
(Z)-8-amino-1-(4-(thymin-1-yl)but-2-enyl)-5,6-dihydro-1H-imidazo[4,5,1-ij]quinolin-2(4H)-one
-
in 50 mM Tris-HCl pH 7.4, 50 mM KCl, 2 mM MgCl2, temperature not specified in the publication
0.029
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
-
-
0.037
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
-
in 50 mM Tris-HCl, pH 7.4, 50 mM KCl, 2 mM MgCl2, at 37°C
0.34
1-((2R,4S,5R)-4-hydroxy-5-(2-(methylsulfonyl)ethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
pH and temperature not specified in the publication
0.07
1-((2R,4S,5R)-5-(2-(1H-tetrazol-5-yl)ethyl)-4-hydroxytetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
pH and temperature not specified in the publication
0.0066
1-(1-(4-hydroxy-3-methoxyphenyl)-3-oxodecan-5-yl)-5-methylpyrimidine-2,4-(1H,3H)-dione
-
pH 7.4, temperature not specified in the publication
0.001 - 0.274
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
0.0072
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
-
pH 7.4
0.008
1-(3-amino-3-deoxy-2-O,3-N-(thiocarbonyl)-beta-D-ribofuranosyl)thymine
-
-
0.0023
1-(3-aminomethyl-3,5-dideoxy-2-O,6-N-(thiocarbonyl)-beta-D-ribofuranosyl)thymine
-
-
0.005 - 1
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
0.012
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
-
pH 7.4
0.0032 - 1
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
0.021
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
-
pH 7.4
0.067 - 2.5
1-[(1R,2R,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4(1H,3H)-dione
0.055 - 0.208
1-[(1R,2R,4R,5S)-4-(hydroxymethyl)-6-oxabicyclo[3.1.0]hex-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
1.54
1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
with dGMP as substrate, in Tris-HCl (50 mM, pH 7.2), phosphoenolpyruvate (0.5 mM), KCl (40 mM), MgCl2 (2 mM), at 30°C
0.103 - 0.355
1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4(1H,3H)-dione
0.007 - 0.02
1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
0.089 - 0.246
1-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4(1H,3H)-dione
0.000004
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
-
predicted value, pH not specified in the publication, temperature not specified in the publication
0.000004
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
-
predicted value, pH not specified in the publication, temperature not specified in the publication
0.0003
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
-
in 50 mM Tris-HCl pH 7.4, 50 mM KCl, 2 mM MgCl2, temperature not specified in the publication
0.00027
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
-
in 50 mM Tris-HCl pH 7.4, 50 mM KCl, 2 mM MgCl2, temperature not specified in the publication
0.0135 - 1.1
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
0.0035 - 0.7
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
0.00057
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
-
in 50 mM Tris-HCl pH 7.4, 50 mM KCl, 2 mM MgCl2, temperature not specified in the publication
0.0023
1-[3-aminomethyl-3,5-dideoxy-2-O,6-N-(thiocarbonyl)-beta-D-ribofuranosyl]thymine
-
-
0.0006 - 0.362
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
0.00017
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
-
pH and temperature not specified in the publication
0.0042
2',5'-dideoxy-5'-(4-phenyl-1H-1,2,3-triazol-1-yl)-3,4-dihydrothymidine
-
in 50 mM Tris-HCl, pH 7.4, 50 mM KCl, 2 mM MgCl2, at 37°C
0.0028
2',5'-dideoxy-5'-([[3-(trifluoromethyl)phenyl]carbamoyl]amino)-3,4-dihydrothymidine
-
in 50 mM Tris-HCl, pH 7.4, 50 mM KCl, 2 mM MgCl2, at 37°C
0.24
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
-
pH and temperature not specified in the publication
0.00029
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
-
pH and temperature not specified in the publication
0.00043
2-[([1-[2-ammonio-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]methyl)amino]butanedioate
-
pH and temperature not specified in the publication
0.028
3',5'-diazido-2',3',5'-trideoxy-3,4-dihydrothymidine
-
in 50 mM Tris-HCl, pH 7.4, 50 mM KCl, 2 mM MgCl2, at 37°C
0.015
3'-(4-chlorophenyl-1,2,3-triazol-1-yl)-3'-deoxy-4-thio-beta-D-thymidine
-
in 50 mM Tris-HCl, pH 7.4, 50 mM KCl, 2 mM MgCl2, at 37°C
0.035
3'-(4-chlorophenyl-1,2,3-triazol-1-yl)-3'-deoxy-alpha-D-thymidine
-
in 50 mM Tris-HCl, pH 7.4, 50 mM KCl, 2 mM MgCl2, at 37°C
0.1
3'-azido-3'-deoxy-4-thio-beta-D-thymidine
-
Ki above 0.1 mM, in 50 mM Tris-HCl, pH 7.4, 50 mM KCl, 2 mM MgCl2, at 37°C
0.006
3'-azido-3'-deoxy-alpha-D-thymidine
-
in 50 mM Tris-HCl, pH 7.4, 50 mM KCl, 2 mM MgCl2, at 37°C
0.027
3'-Deoxythymidine
-
pH and temperature not specified in the publication
0.005
3'-[([[4-chloro-3-(trifluoromethyl)phenyl]carbamothioyl]amino)methyl]-2',3'-dideoxy-3,4-dihydrothymidine
-
in 50 mM Tris-HCl, pH 7.4, 50 mM KCl, 2 mM MgCl2, at 37°C
0.048
3-((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)propanenitrile
-
pH and temperature not specified in the publication
0.039
4-[4-[(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]butanamide
-
-
0.01 - 0.293
4-[4-[(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]butanoic acid
0.039
4-[4-[(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]butanamide
-
-
0.0065 - 0.79
4-[4-[(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]butanoic acid
0.013
4-[4-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]butanoic acid
-
-
0.0027
5'-(4-benzyl-1H-1,2,3-triazol-1-yl)-2',5'-dideoxy-3,4-dihydrothymidine
-
in 50 mM Tris-HCl, pH 7.4, 50 mM KCl, 2 mM MgCl2, at 37°C
0.009
5'-(4-chlorophenyl-1,2,3-triazol-1-yl)-5'-deoxy-alpha-D-thymidine
-
in 50 mM Tris-HCl, pH 7.4, 50 mM KCl, 2 mM MgCl2, at 37°C
0.201
5'-(4-chlorophenyl-1,2,3-triazol-1-yl)-5'-deoxy-beta-D-thymidine
-
in 50 mM Tris-HCl, pH 7.4, 50 mM KCl, 2 mM MgCl2, at 37°C
0.0006
5'-([[4-chloro-3-(trifluoromethyl)phenyl]carbamothioyl]amino)-2',5'-dideoxy-3,4-dihydro-alpha-thymidine
-
in 50 mM Tris-HCl, pH 7.4, 50 mM KCl, 2 mM MgCl2, at 37°C
0.0099
5'-([[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]amino)-2',5'-dideoxy-3,4-dihydrothymidine
-
in 50 mM Tris-HCl, pH 7.4, 50 mM KCl, 2 mM MgCl2, at 37°C
0.0265
5'-azido-2',5'-dideoxy-3,4-dihydrothymidine
-
in 50 mM Tris-HCl, pH 7.4, 50 mM KCl, 2 mM MgCl2, at 37°C
0.0021
5'-[4-(4-chlorophenyl)-1H-1,2,3-triazol-1-yl]-2',5'-dideoxy-3,4-dihydrothymidine
-
in 50 mM Tris-HCl, pH 7.4, 50 mM KCl, 2 mM MgCl2, at 37°C
0.0023
5'-[5-(2-aminobenzyl)-1H-1,2,3-triazol-1-yl]-2',5'-dideoxy-3,4-dihydrothymidine
-
in 50 mM Tris-HCl, pH 7.4, 50 mM KCl, 2 mM MgCl2, at 37°C
0.045
5'-[5-amino-4-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-1-yl]-2',5'-dideoxy-3,4-dihydrothymidine
-
in 50 mM Tris-HCl, pH 7.4, 50 mM KCl, 2 mM MgCl2, at 37°C
0.073
5-(5'-amino-5'-deoxy-beta-D-thymidin-5'-N-yl)-1-(4-chloro-3-trifluoromethylphenyl)-tetrazole
-
in 50 mM Tris-HCl, pH 7.4, 50 mM KCl, 2 mM MgCl2, at 37°C
0.0083
5-bromo-1-(1-(4-hydroxy-3-methoxyphenyl)-3-oxodecan-5-yl)-pyrimidine-2,4-(1H,3H)-dione
-
pH 7.4, temperature not specified in the publication
0.11
5-hydroxymethyl-dUMP
-
pH and temperature not specified in the publication
0.000004
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
-
predicted value, pH not specified in the publication, temperature not specified in the publication
0.00042
5-methyl-1-[(2Z)-4-(2-oxobenzo[cd]indol-1(2H)-yl)but-2-en-1-yl]pyrimidine-2,4(1H,3H)-dione
-
in 50 mM Tris-HCl pH 7.4, 50 mM KCl, 2 mM MgCl2, temperature not specified in the publication
0.038
5-[4-[(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]pentanoic acid
-
-
0.016 - 0.122
5-[4-[(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]pentanoic acid
0.0195
6-[4-[(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]hexanamide
-
-
0.026
6-[4-[(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]hexanamide
-
-
0.0265
6-[4-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]hexanamide
-
-
0.21
ATP
-
pH 7.4, temperature not specified in the publication
0.00017
N-(5'-deoxy-4-thio-alpha-D-thymidin-5'-yl)-N'-(3-trifluoromethyl-4-chlorophenyl)thiourea
-
in 50 mM Tris-HCl, pH 7.4, 50 mM KCl, 2 mM MgCl2, at 37°C
0.0026 - 0.05
N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(3-trifluoromethyl-4-chlorobenzyl)thiourea
0.0019 - 0.166
N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(4-chloro-3-(trifluoromethyl)phenylethyl)urea
0.036 - 0.206
[(1S,4R)-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopent-2-en-1-yl]methyl acetate
0.039
(3E)-4-[4-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]but-3-enoic acid
-
-
0.252
(3E)-4-[4-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]but-3-enoic acid
-
-
0.001
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
-
pH 7.4
0.274
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
-
pH 7.4
0.005
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
-
pH 7.4
1
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
-
pH 7.4
0.0032
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
-
pH 7.4
1
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
-
pH 7.4
0.014
1-[(1'R,4'S)-4'-((S)-2-fluoro-1-hydroxyethyl)cyclopent-2'-enyl]-1H-thymine
-
substrate TMP, pH 7.2, 30°C
0.02
1-[(1'R,4'S)-4'-((S)-2-fluoro-1-hydroxyethyl)cyclopent-2'-enyl]-1H-thymine
-
substrate dGMP, pH 7.2, 30°C
0.067
1-[(1R,2R,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
with dGMP as substrate, in Tris-HCl (50 mM, pH 7.2), phosphoenolpyruvate (0.5 mM), KCl (40 mM), MgCl2 (2 mM), at 30°C
2.5
1-[(1R,2R,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
with TMP as substrate, in Tris-HCl (50 mM, pH 7.2), phosphoenolpyruvate (0.5 mM), KCl (40 mM), MgCl2 (2 mM), at 30°C
0.055
1-[(1R,2R,4R,5S)-4-(hydroxymethyl)-6-oxabicyclo[3.1.0]hex-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
with dGMP as substrate, in Tris-HCl (50 mM, pH 7.2), phosphoenolpyruvate (0.5 mM), KCl (40 mM), MgCl2 (2 mM), at 30°C
0.208
1-[(1R,2R,4R,5S)-4-(hydroxymethyl)-6-oxabicyclo[3.1.0]hex-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
with TMP as substrate, in Tris-HCl (50 mM, pH 7.2), phosphoenolpyruvate (0.5 mM), KCl (40 mM), MgCl2 (2 mM), at 30°C
0.103
1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
with dGMP as substrate, in Tris-HCl (50 mM, pH 7.2), phosphoenolpyruvate (0.5 mM), KCl (40 mM), MgCl2 (2 mM), at 30°C
0.355
1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
with TMP as substrate, in Tris-HCl (50 mM, pH 7.2), phosphoenolpyruvate (0.5 mM), KCl (40 mM), MgCl2 (2 mM), at 30°C
0.007
1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
with dGMP as substrate, in Tris-HCl (50 mM, pH 7.2), phosphoenolpyruvate (0.5 mM), KCl (40 mM), MgCl2 (2 mM), at 30°C
0.02
1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
with TMP as substrate, in Tris-HCl (50 mM, pH 7.2), phosphoenolpyruvate (0.5 mM), KCl (40 mM), MgCl2 (2 mM), at 30°C
0.089
1-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
with dGMP as substrate, in Tris-HCl (50 mM, pH 7.2), phosphoenolpyruvate (0.5 mM), KCl (40 mM), MgCl2 (2 mM), at 30°C
0.246
1-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
with TMP as substrate, in Tris-HCl (50 mM, pH 7.2), phosphoenolpyruvate (0.5 mM), KCl (40 mM), MgCl2 (2 mM), at 30°C
0.0135
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
-
-
1.1
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
-
-
0.0035
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
-
-
0.0035
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
-
pH and temperature not specified in the publication
0.7
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
-
-
0.0006
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
-
pH 7.4
0.362
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
-
pH 7.4
0.024
3'-azido-3'-deoxythymidine
-
pH 7.4, temperature not specified in the publication
0.01
4-[4-[(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]butanoic acid
-
-
0.293
4-[4-[(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]butanoic acid
-
-