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(+/-)(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
(E)-5-(2-bromovinyl)-deoxyuridine
-
(NH4)2SO4
-
0.35 M, 50% inhibition
(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
(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-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-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-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)-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
(S)-5-methyl-1-(1-(3-(m-tolyloxy)benzyl)piperidin-3-yl)-pyrimidine-2,4(1H,3H)-dione
(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-(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-(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-(pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one
-
1-methyl-6-(pyridin-4-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one
-
1-methyl-6-(pyrimidin-5-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one
-
1-methyl-6-phenyl-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',3'-dideoxy-2',3'-didehydrothymidine
poor inhibitor
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',5'-difluoro-3'-azidomethylthymidine
-
2'-chlorothymidine 5'-monophosphate
-
2'-deoxy-5-(hydroxymethyl)uridine
-
-
2'-deoxy-5-(trifluoromethyl)uridine
-
-
2'-deoxy-5-ethyluridine
-
-
2'-deoxy-5-fluorouridine
-
-
2'-deoxy-5-hydroxyuridine
-
-
2'-fluorothymidine 5'-monophosphate
-
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-mercaptoethanol
-
0.4 mM
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',5'-diazido-2',3',5'-trideoxy-3,4-dihydrothymidine
-
-
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'-(aminomethyl)-2'-chloro-3'-deoxythymidine
-
3'-(aminomethyl)-3'-deoxythymidine
3'-(azidomethyl)-2'-chloro-3'-deoxythymidine
-
3'-(azidomethyl)-3'-deoxy-2'-fluorothymidine
-
3'-(azidomethyl)-3'-deoxy-alpha-D-ribosyl-thymine
3'-(azidomethyl)-3'-deoxythymidine
3'-([[(4-chlorophenyl)carbamothioyl]amino]methyl)-3'-deoxythymidine
-
3'-azido-2',3'-dideoxyuridine
-
-
3'-azido-3'-deoxy-4-thio-beta-D-thymidine
-
-
3'-azido-3'-deoxy-alpha-D-thymidine
-
-
3'-azido-3'-deoxy-thymidine-5'-monophosphate
-
3'-azido-3'-deoxythymidine
3'-azido-3'-deoxythymidine 5'-monophosphate
3'-azido-3'-deoxythymidine 5'-phosphate
-
3'-azido-3'-deoxythymidine monophosphate
-
-
3'-azido-5-bromo-2',3'-dideoxyuridine
-
-
3'-azido-5-chloro-2',3'-dideoxyuridine
-
-
3'-azidothymidine
poor inhibitor
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'-deoxythymidine 5'-monophosphate
-
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-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]butanamide
4-[4-[(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]butanoic acid
4-[4-[(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]butanamide
4-[4-[(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]butanoic acid
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'-amino-5'-deoxythymidine
-
-
5'-aminodeoxythymidine
-
-
5'-azido-2',5'-dideoxy-3,4-dihydrothymidine
-
-
5'-azido-5'-deoxythymidine
-
-
5'-carboxyldeoxythymidine
-
-
5'-chlorodeoxythymidine
-
-
5'-deoxy-5'-(methylamino)thymidine
-
-
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'-iododeoxythymidine
-
-
5'-[(benzylcarbamothioyl)amino]-5'-deoxythymidine
-
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'-dithio-bis(2-nitrobenzoic acid)
-
general thymidylate kinase inhibitor
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-fluorodeoxyuridine
poor inhibitor
5-iodo-5'-fluoro-2',5'-dideoxyuridine
-
-
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 iso-dCMP
-
competitive
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-(3-phenoxybenzyl)piperidin-3-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-methyl-1-[1-[3-(4-methylphenoxy)benzyl]piperidin-3-yl]-pyrimidine-2,4(1H,3H)-dione
5-[(E)-2-bromoethenyl]-2'-deoxyuridine
-
-
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-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]phenyl]pentanoic acid
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
CH2ATP
-
100 nM, 23% inhibition
D-2'-fluoroarabinosyl-5-methyldeoxyuridine
poor inhibitor; strong
dAMP
-
5 mM, about 15% inhibition
dGDP
-
0.5 mM, 23% inhibition
dGTP
-
100 nM, 12% inhibition
EDTA
-
4 mM, 80% loss of activity
GDP
-
100 nM, 21% inhibition
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
KCl
-
0.5 M, 10% inhibition
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-(3,4-dichlorophenyl)-N'-(5'-deoxy-alpha-D-thymidin-5'-yl)-urea
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-D-thymidin-5'-yl)-N'-(3,4-dichlorophenylethyl)thiourea
N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(3-trifluoromethyl-4-chlorobenzyl)thiourea
N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(4-chloro-3-(trifluoromethyl)phenylethyl)urea
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
-
NaCl
-
0.1 M, 25% inhibition
NH4Cl
-
0.4 M, 75% inhibition
P1,P5-di(adenosine-5')pentaphosphate
potential inhibitor
P1-(5'-adenosyl)-P5-(5'-thymidyl)pentaphosphate
-
P1-(adenosine 5')-P4-(thymidine 5')-tetraphosphate
-
-
P1-(adenosine 5')-P5-(thymidine 5')-pentaphosphate
-
-
P1-(Adenosine 5')-P6-(thymidine 5')-hexaphosphate
-
-
UMP
-
5 mM, about 15% inhibition
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'-(aminomethyl)-3'-deoxythymidine

-
-
3'-(aminomethyl)-3'-deoxythymidine
-
3'-(azidomethyl)-3'-deoxy-alpha-D-ribosyl-thymine

-
-
3'-(azidomethyl)-3'-deoxy-alpha-D-ribosyl-thymine
-
3'-(azidomethyl)-3'-deoxythymidine

-
-
3'-(azidomethyl)-3'-deoxythymidine
-
3'-azido-3'-deoxythymidine

-
3'-azido-3'-deoxythymidine
-
-
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
-
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

-
-
5-bromo-2'-deoxyuridine
-
potential inhibitor with high selectivity between bacterial and human enzyme
5-bromo-2'-deoxyuridine
-
-
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

-
-
5-chloro-2'-deoxyuridine
-
potential inhibitor with high selectivity between bacterial and human enzyme
5-chloro-2'-deoxyuridine
-
-
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

-
not inhibitory at 4 mM
5-fluoro-2'-deoxyuridine
-
potential inhibitor with high selectivity between bacterial and human enzyme
5-iodo-2'-deoxyuridine

-
-
5-iodo-2'-deoxyuridine
-
potential inhibitor with high selectivity between bacterial and human enzyme
5-iodo-2'-deoxyuridine
-
-
5-iodo-dUMP

-
competitive versus both thymidylate and thymidine
5-iodo-dUMP
-
2.5 mM, 30% inhibition
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

-
25% inhibition
ADP
-
0.5 mM, 33% inhibition
ADP
-
ADP*Mg2+ product inhibition, competitive versus MgATP2-, noncompetitive versus thymidylate
ADP
-
100 nM, 64% inhibition
ADP
-
2.5 mM, 24% inhibition
dADP

-
0.5 mM, 34% inhibition
dADP
-
100 nM, 57% inhibition
dADP
-
2.5 mM, 23% inhibition
dATP

-
0.4 mM, 12% inhibition, adult liver
dATP
-
100 nM, 15% inhibition
deoxythymidine

poor inhibitor
deoxythymidine
-
potential inhibitor with high selectivity between bacterial and human enzyme
dTDP

-
0.4 mM, 48% inhibition
dTDP
-
0.5 mM, 91% inhibition
dTDP
-
product inhibition, competitive versus MgATP2-
dTDP
-
100 nM, 39% inhibition
dTDP
-
2.5 mM, 75% inhibition
dTDP
competitive with dTMP
dTMP

-
-
dTTP

-
-
dTTP
-
0.4 mM, 43% inhibition
dTTP
-
competitive versus both thymidine and thymidylate
dTTP
-
potent feedback inhibitor of dTMP
dTTP
-
2.5 mM, 17% inhibition
dUDP

-
0.5 mM, 42% inhibition
dUDP
-
2.5 mM, 15% inhibition
dUMP

-
-
dUMP
-
5 mM, about 15% inhibition
dUMP
-
2.5 mM, 19% inhibition
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

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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

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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
thymidine

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0.77 mM, 27% inhibition
thymidine
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2.5 mM, 40% inhibition
TK-666

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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
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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

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3â-azido-3â-deoxythymidine monophosphate is not inhibitory, various thymine derivatives tested and found to inhibit activity to different extents
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additional information
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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
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additional information
several different TMP analogues tested and found to be inhibitory
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additional information
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several different TMP analogues tested and found to be inhibitory
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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
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additional information
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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
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additional information
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not inhibited by N-(5'-deoxy-4-thio-alpha-D-thymidin-5'-yl)-N'-phenylthiourea
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additional information
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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
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additional information
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not inhibitory: 2-mercaptoethanol up to 5 mM, AMP, CMP, dCMP, GMP and dGMP and
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