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Literature summary for 2.7.4.9 extracted from

  • Song, L.; Merceron, R.; Gracia, B.; Quintana, A.L.; Risseeuw, M.D.P.; Hulpia, F.; Cos, P.; Ainsa, J.A.; Munier-Lehmann, H.; Savvides, S.N.; Van Calenbergh, S.
    Structure guided lead generation toward nonchiral M. tuberculosis thymidylate kinase inhibitors (2018), J. Med. Chem., 61, 2753-2775 .
    View publication on PubMed
Search for more literature for 2.7.4.9

Cloned(Commentary)

Cloned (Comment) Organism
expression in Escherichia coli Mycobacterium tuberculosis

Crystallization (Commentary)

Crystallization (Comment) Organism
sitting-drop vapor-diffusion method at 20°C Mycobacterium tuberculosis

Inhibitors

Inhibitors Comment Organism Structure
1-(1-benzylpiperidin-4-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
1-(1-[[4-(3-chlorophenoxy)quinolin-2-yl]methyl]piperidin-4-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
1-(1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
1-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
1-[1-[(1-benzofuran-2-yl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
1-[1-[(7-chloro-4-phenoxyquinolin-2-yl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
1-[1-[(furan-2-yl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
1-[1-[(furan-3-yl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
1-[1-[(isoquinolin-1-yl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
1-[1-[(isoquinolin-3-yl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
1-[1-[(isoquinolin-4-yl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
4-[[4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl]benzoic acid
-
 Mycobacterium tuberculosis
4-[[4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl]benzonitrile
-
 Mycobacterium tuberculosis
5-methyl-1-(1-[[4-(1H-tetrazol-5-yl)phenyl]methyl]piperidin-4-yl)pyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
5-methyl-1-(2-[methyl[(3-phenoxyphenyl)methyl]amino]ethyl)pyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
5-methyl-1-[(3S)-1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
5-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
5-methyl-1-[1-(3-phenoxybenzoyl)piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
5-methyl-1-[1-(4-phenoxybenzoyl)piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
5-methyl-1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
5-methyl-1-[1-[(3-phenoxyphenyl)methyl]azetidin-3-yl]pyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
5-methyl-1-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
5-methyl-1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
5-methyl-1-[1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
5-methyl-1-[1-[(4-phenoxyquinolin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
5-methyl-1-[1-[(naphthalen-1-yl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
5-methyl-1-[1-[(naphthalen-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
5-methyl-1-[1-[(pyridin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
5-methyl-1-[1-[(pyridin-3-yl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
5-methyl-1-[1-[(pyridin-4-yl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
5-methyl-1-[1-[(quinolin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
5-methyl-1-[1-[(quinolin-3-yl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
5-methyl-1-[1-[(quinolin-4-yl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
5-methyl-1-[1-[2-(3-phenoxyphenyl)ethyl]azetidin-3-yl]pyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
5-methyl-1-[1-[2-(3-phenoxyphenyl)ethyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
5-methyl-1-[1-[3-(3-phenoxyphenyl)propyl]azetidin-3-yl]pyrimidine-2,4(1H,3H)-dione
-
 Mycobacterium tuberculosis
5-[[4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl]pyridine-2-carboxylic acid
-
 Mycobacterium tuberculosis

Organism

Organism UniProt Comment Textmining
Mycobacterium tuberculosis A5U7S1
-
-
Mycobacterium tuberculosis P9WKE1
-
-
Mycobacterium tuberculosis H37Rv P9WKE1
-
-

Purification (Commentary)

Purification (Comment) Organism
-
 Mycobacterium tuberculosis

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
ATP + dTMP
-
 Mycobacterium tuberculosis ADP + dTDP
-
 ?
ATP + dTMP
-
 Mycobacterium tuberculosis H37Rv ADP + dTDP
-
 ?

Synonyms

Synonyms Comment Organism
thymidylate kinase
-
 Mycobacterium tuberculosis
TMPK
-
 Mycobacterium tuberculosis

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00095
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 1-(1-[[4-(3-chlorophenoxy)quinolin-2-yl]methyl]piperidin-4-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
0.00096
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 1-(1-[[4-(3-chlorophenoxy)quinolin-2-yl]methyl]piperidin-4-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
0.0011
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 5-methyl-1-[1-[(4-phenoxyquinolin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
0.0018
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 1-[1-[(7-chloro-4-phenoxyquinolin-2-yl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
0.0061
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 5-methyl-1-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
0.0071
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
0.009
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 5-methyl-1-[1-[(quinolin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
0.01
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 5-methyl-1-[(3S)-1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4(1H,3H)-dione
0.011
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 5-methyl-1-[1-[2-(3-phenoxyphenyl)ethyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
0.017
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 5-methyl-1-[1-[(quinolin-3-yl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
0.02
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 5-methyl-1-[1-[(naphthalen-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
0.023
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 1-[1-[(1-benzofuran-2-yl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
0.025
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 5-methyl-1-[1-[(quinolin-4-yl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
0.025
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 1-[1-[(isoquinolin-4-yl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
0.026
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 1-[1-[(isoquinolin-3-yl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
0.027
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 1-[1-[(isoquinolin-1-yl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
0.029
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 5-methyl-1-[1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
0.03251
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 5-methyl-1-[1-[(4-phenoxyquinolin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
0.035
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 4-[[4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl]benzonitrile
0.038
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 5-methyl-1-[1-[(naphthalen-1-yl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
0.04
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
0.049
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 5-methyl-1-[1-[(pyridin-4-yl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
0.06045
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
0.072
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 5-methyl-1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
0.075
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 5-methyl-1-[1-[(pyridin-3-yl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
0.098
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 5-methyl-1-[1-[(pyridin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
0.113
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
0.114
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 1-[1-[(furan-2-yl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
0.129
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 5-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
0.138
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 1-(1-benzylpiperidin-4-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
0.141
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 4-[[4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl]benzoic acid
0.142
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 5-methyl-1-(1-[[4-(1H-tetrazol-5-yl)phenyl]methyl]piperidin-4-yl)pyrimidine-2,4(1H,3H)-dione
0.143
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 5-[[4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl]pyridine-2-carboxylic acid
0.168
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 5-methyl-1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
0.235
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 5-methyl-1-[1-(3-phenoxybenzoyl)piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
0.254
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 1-[1-[(furan-3-yl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
0.328
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 1-(1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
0.353
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 5-methyl-1-[1-(4-phenoxybenzoyl)piperidin-4-yl]pyrimidine-2,4(1H,3H)-dione
0.72
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 5-methyl-1-(2-[methyl[(3-phenoxyphenyl)methyl]amino]ethyl)pyrimidine-2,4(1H,3H)-dione
0.944
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 5-methyl-1-[1-[(3-phenoxyphenyl)methyl]azetidin-3-yl]pyrimidine-2,4(1H,3H)-dione
1.115
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 1-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
1.14
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 5-methyl-1-[1-[3-(3-phenoxyphenyl)propyl]azetidin-3-yl]pyrimidine-2,4(1H,3H)-dione
1.91
-
 pH 7.4, temperature not specified in the publication Mycobacterium tuberculosis 5-methyl-1-[1-[2-(3-phenoxyphenyl)ethyl]azetidin-3-yl]pyrimidine-2,4(1H,3H)-dione

General Information

General Information Comment Organism
drug target the enzyme is indispensable for bacterial DNA biosynthesis and has been pursued for the development of new antibacterial agents including against Mycobacterium tuberculosis Mycobacterium tuberculosis
physiological function the enzyme is indispensable for bacterial DNA biosynthesis Mycobacterium tuberculosis