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Literature summary for 6.5.1.2 extracted from

  • Dwivedi, N.; Dube, D.; Pandey, J.; Singh, B.; Kukshal, V.; Ramachandran, R.; Tripathi, R.P.
    NAD+-dependent DNA ligase: a novel target waiting for the right inhibitor (2008), Med. Res. Rev., 28, 545-568.
    View publication on PubMed

Application

Application Comment Organism
medicine NAD+-dependent ligases can serve as a valuable target in the development if chemotherapeutics for the treatment of numerous human ailments Escherichia coli
medicine NAD+-dependent ligases can serve as a valuable target in the development of chemotherapeutics for the treatment of numerous human ailments Thermus filiformis
medicine NAD+-dependent ligases can serve as a valuable target in the development of chemotherapeutics for the treatment of numerous human ailments Enterococcus faecalis
medicine NAD+-dependent ligases can serve as a valuable target in the development of chemotherapeutics for the treatment of numerous human ailments Geobacillus stearothermophilus
medicine NAD+-dependent ligases can serve as a valuable target in the development of chemotherapeutics for the treatment of numerous human ailments Mycobacterium tuberculosis

Inhibitors

Inhibitors Comment Organism Structure
(29S,34S,36R,37R)-1,1'-(1,3-phenylene)bis(3-((S)-1-((3aR,6S,6aR)-6-(benzyloxy)-2,2-dimethyl-dihydro-5H-furo[3,2-d][1,3]dioxol-5-yl)-3-hydroxypropyl)urea)
-
Mycobacterium tuberculosis
(29S,34S,36R,37R)-1,1'-(1,4-phenylene)bis(3-((S)-1-((3aR,6S,6aR)-6-(benzyloxy)-2,2-dimethyl-dihydro-5H-furo[3,2-d][1,3]dioxol-5-yl)-3-ethoxy-3-oxopropyl)urea)
-
Mycobacterium tuberculosis
2,4-diamino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carbonitrile powerful inhibitor, exhibits good inhibition at nanomolar concentrations Escherichia coli
2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide powerful inhibitor, exhibits good inhibition at nanomolar concentrations Escherichia coli
2-amino-5H-chromeno[2,3-b]pyridine-3-carboxamide powerful inhibitor, exhibits good inhibition at nanomolar concentrations Escherichia coli
2-amino-7,8-difluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide powerful inhibitor, exhibits good inhibition at nanomolar concentrations, worse inhibitor than 2-amino-7-fluoro-5-oxo-4a,10a-dihydro-5H-chromeno[2,3-b]pyridine-3-carboxamide Escherichia coli
2-amino-7-fluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide powerful inhibitor, exhibits good inhibition at nanomolar concentrations, better inhibitor than 2-amino-7,8-difluoro-5-oxo-4a,10a-dihydro-5H-chromeno[2,3-b]pyridine-3-carboxamide Escherichia coli
3,3'-(decane-1,10-diylbis(azanediyl))bis(3-(6-(benzyloxy)-2,2-dimethyl-dihydro-5H-furo[3,2-d][1,3]dioxol-5-yl)propan-1-ol)
-
Mycobacterium tuberculosis
3,3'-(propane-1,3-diylbis(azanediyl))bis(3-(6-(benzyloxy)-2,2-dimethyl-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl)propan-1-ol)
-
Mycobacterium tuberculosis
Chloroquine effective inhibitor Escherichia coli
Chloroquine
-
Mycobacterium tuberculosis
doxorubicin doxorubicin inhibits the ATP-dependent DNA ligase of bacteriophage T4 and the Escherichia coli NAD+-dependent ligase with a similar potency Escherichia coli
ethyl-3-O-benzyl-5,6-dideoxy-1,2-O-(1-methylethylidene)-5-[[(phenylcarbonyl)carbamoyl]amino]-alpha-L-xylo-heptofuranuronate
-
Mycobacterium tuberculosis
ethyl-3-O-benzyl-5-[benzyl[(4-chlorophenyl)carbamoyl]amino]-5,6-dideoxy-1,2-O-(1-methylethylidene)-alpha-L-xylo-heptofuranuronate
-
Mycobacterium tuberculosis
hydroxychloroquine specific inhibitor of the Escherichia coli enzyme Escherichia coli
additional information not inhibited by cinchonidine, quinine, and N,N'-bis[4chloroquinolin-8-yl]succinamide Escherichia coli
N,N'-bis[4-((4-(diethylamino)-1-methylbutyl)amino)-quinoline-6-yl]sebacamide powerful inhibitor, exhibits good inhibition at nanomolar concentrations Escherichia coli
N,N'-bis[4-((4-(diethylamino)-1-methylbutyl)amino)-quinoline-8-yl]adipamide powerful inhibitor, exhibits good inhibition at nanomolar concentrations Escherichia coli
N,N'-bis[[(3aR,6S,6aR)-6-(benzyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]dodecane-1,12-diamine
-
Mycobacterium tuberculosis
N-[6-piperidin-1-ylhexyl]-6,7-dihydrobenzo[b]indolo[2,3-d]thiepine LX competes with NAD+ andf inhibits the enzyme with IC50 in the low micromolar range, LX exhibits around 15fold better inhibition of the Mycobacterium tuberculosis enzyme compared to the human DNA ligase Mycobacterium tuberculosis
Quinacrine powerful inhibitor, exhibits good inhibition at nanomolar concentrations Escherichia coli

Organism

Organism UniProt Comment Textmining
Enterococcus faecalis Q837V6
-
-
Escherichia coli
-
-
-
Geobacillus stearothermophilus O87703
-
-
Mycobacterium tuberculosis P9WNV1
-
-
Mycobacterium tuberculosis H37Rv P9WNV1
-
-
Thermus filiformis Q9ZHI0
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
NAD+ + (deoxyribonucleotide)n + (deoxyribonucleotide)m
-
Escherichia coli AMP + nicotinamide nucleotide + (deoxyribonucleotide)n+m
-
?
NAD+ + (deoxyribonucleotide)n + (deoxyribonucleotide)m
-
Thermus filiformis AMP + nicotinamide nucleotide + (deoxyribonucleotide)n+m
-
?
NAD+ + (deoxyribonucleotide)n + (deoxyribonucleotide)m
-
Enterococcus faecalis AMP + nicotinamide nucleotide + (deoxyribonucleotide)n+m
-
?
NAD+ + (deoxyribonucleotide)n + (deoxyribonucleotide)m
-
Geobacillus stearothermophilus AMP + nicotinamide nucleotide + (deoxyribonucleotide)n+m
-
?
NAD+ + (deoxyribonucleotide)n + (deoxyribonucleotide)m
-
Mycobacterium tuberculosis AMP + nicotinamide nucleotide + (deoxyribonucleotide)n+m
-
?
NAD+ + (deoxyribonucleotide)n + (deoxyribonucleotide)m
-
Mycobacterium tuberculosis H37Rv AMP + nicotinamide nucleotide + (deoxyribonucleotide)n+m
-
?

Synonyms

Synonyms Comment Organism
LigA
-
Escherichia coli
LigA
-
Thermus filiformis
LigA
-
Enterococcus faecalis
LigA
-
Geobacillus stearothermophilus
LigA
-
Mycobacterium tuberculosis
NAD+-dependent DNA ligase
-
Escherichia coli
NAD+-dependent DNA ligase
-
Thermus filiformis
NAD+-dependent DNA ligase
-
Enterococcus faecalis
NAD+-dependent DNA ligase
-
Geobacillus stearothermophilus
NAD+-dependent DNA ligase
-
Mycobacterium tuberculosis

Cofactor

Cofactor Comment Organism Structure
NAD+
-
Escherichia coli
NAD+
-
Thermus filiformis
NAD+
-
Enterococcus faecalis
NAD+
-
Geobacillus stearothermophilus
NAD+
-
Mycobacterium tuberculosis

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00004
-
-
Escherichia coli 2-amino-7-fluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide
0.00008
-
-
Escherichia coli 2-amino-7,8-difluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide
0.0001
-
-
Escherichia coli 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide
0.0009
-
-
Escherichia coli 2,4-diamino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carbonitrile
0.0015
-
-
Escherichia coli Quinacrine
0.0018
-
-
Escherichia coli N,N'-bis[4-((4-(diethylamino)-1-methylbutyl)amino)-quinoline-6-yl]sebacamide
0.004
-
-
Mycobacterium tuberculosis ethyl-3-O-benzyl-5,6-dideoxy-1,2-O-(1-methylethylidene)-5-[[(phenylcarbonyl)carbamoyl]amino]-alpha-L-xylo-heptofuranuronate
0.009
-
-
Escherichia coli N,N'-bis[4-((4-(diethylamino)-1-methylbutyl)amino)-quinoline-8-yl]adipamide
0.00965
-
-
Mycobacterium tuberculosis ethyl-3-O-benzyl-5-[benzyl[(4-chlorophenyl)carbamoyl]amino]-5,6-dideoxy-1,2-O-(1-methylethylidene)-alpha-L-xylo-heptofuranuronate
0.0114
-
-
Mycobacterium tuberculosis N,N'-bis[[(3aR,6S,6aR)-6-(benzyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]dodecane-1,12-diamine
0.046
-
chloroquine inhibits the enzyme with an IC50 of about 0.046 mM Mycobacterium tuberculosis Chloroquine
0.0462
-
-
Mycobacterium tuberculosis 3,3'-(propane-1,3-diylbis(azanediyl))bis(3-(6-(benzyloxy)-2,2-dimethyl-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl)propan-1-ol)
0.053
-
-
Escherichia coli Chloroquine
0.063
-
-
Escherichia coli hydroxychloroquine
0.085
-
-
Mycobacterium tuberculosis (29S,34S,36R,37R)-1,1'-(1,3-phenylene)bis(3-((S)-1-((3aR,6S,6aR)-6-(benzyloxy)-2,2-dimethyl-dihydro-5H-furo[3,2-d][1,3]dioxol-5-yl)-3-hydroxypropyl)urea)
0.225
-
-
Mycobacterium tuberculosis (29S,34S,36R,37R)-1,1'-(1,4-phenylene)bis(3-((S)-1-((3aR,6S,6aR)-6-(benzyloxy)-2,2-dimethyl-dihydro-5H-furo[3,2-d][1,3]dioxol-5-yl)-3-ethoxy-3-oxopropyl)urea)
0.26
-
-
Mycobacterium tuberculosis 3,3'-(decane-1,10-diylbis(azanediyl))bis(3-(6-(benzyloxy)-2,2-dimethyl-dihydro-5H-furo[3,2-d][1,3]dioxol-5-yl)propan-1-ol)