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Literature summary 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

EC Number Application Comment Organism
6.5.1.2 medicine NAD+-dependent ligases can serve as a valuable target in the development if chemotherapeutics for the treatment of numerous human ailments Escherichia coli
6.5.1.2 medicine NAD+-dependent ligases can serve as a valuable target in the development of chemotherapeutics for the treatment of numerous human ailments Thermus filiformis
6.5.1.2 medicine NAD+-dependent ligases can serve as a valuable target in the development of chemotherapeutics for the treatment of numerous human ailments Enterococcus faecalis
6.5.1.2 medicine NAD+-dependent ligases can serve as a valuable target in the development of chemotherapeutics for the treatment of numerous human ailments Geobacillus stearothermophilus
6.5.1.2 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

EC Number Inhibitors Comment Organism Structure
6.5.1.1 (1S,3S)-3-acetyl-3,5,10-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
-
 Homo sapiens
6.5.1.1 (3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,5a,6,11,11a-octahydrotetracen-1-yl 3-(2-cyanopiperidin-1-yl)-2,3,6-trideoxy-alpha-D-glycero-hexopyranoside
-
 Homo sapiens
6.5.1.1 (3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,5a,6,11,11a-octahydrotetracen-1-yl-2,6-dideoxy-beta-L-threo-hexopyranoside
-
 Homo sapiens
6.5.1.1 (3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,5a,6,11,11a-octahydrotetracen-1-yl-3-amino-2,3,6-trideoxy-alpha-D-erythro-hexopyranoside
-
 Homo sapiens
6.5.1.1 (3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,5a,6,11,11a-octahydrotetracen-1-yl-3-amino-2,3,6-trideoxy-beta-L-threo-hexopyranoside
-
 Homo sapiens
6.5.1.1 (3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,5a,6,11,11a-octahydrotetracen-1-yl-4-amino-2,4,6-trideoxy-alpha-D-erythro-hexopyranoside
-
 Homo sapiens
6.5.1.1 (3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-6,11-dioxo-1,2,3,4,5a,6,11,11a-octahydrotetracen-1-yl-2,6-dideoxy-beta-L-threo-hexopyranoside
-
 Homo sapiens
6.5.1.1 (3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-6,11-dioxo-1,2,3,4,5a,6,11,11a-octahydrotetracen-1-yl-3-amino-2,3,6-trideoxy-alpha-D-erythro-hexopyranoside
-
 Homo sapiens
6.5.1.1 (3S)-3-acetyl-3,5,10-trihydroxy-6,11-dioxo-1,2,3,4,5a,6,11,11a-octahydrotetracen-1-yl-3-amino-2,3,6-trideoxy-alpha-D-erythro-hexopyranoside
-
 Homo sapiens
6.5.1.1 (3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,5a,6,11,11a-octahydrotetracen-1-yl-3,4-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside
-
 Homo sapiens
6.5.1.1 (3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,5a,6,11,11a-octahydrotetracen-1-yl-3-amino-2,3,6-trideoxy-alpha-D-erythro-hexopyranoside
-
 Homo sapiens
6.5.1.1 (3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,5a,6,11,11a-octahydrotetracen-1-yl-4-amino-2,4,6-trideoxy-alpha-D-threo-hexopyranoside
-
 Homo sapiens
6.5.1.1 (3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,5a,6,11,11a-octahydrotetracen-1-yl-2,6-dideoxy-beta-L-threo-hexopyranoside
-
 Homo sapiens
6.5.1.1 (3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,5a,6,11,11a-octahydrotetracen-1-yl-3-amino-2,3,6-trideoxy-alpha-D-erythro-hexopyranoside
-
 Homo sapiens
6.5.1.1 (8S)-10-[[(2R,4R)-4-amino-6-methyltetrahydro-2H-pyran-2-yl]oxy]-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5a,7,8,9,10,11a-hexahydrotetracene-5,12-dione
-
 Homo sapiens
6.5.1.1 (8S)-10-[[(2S,4S,5S)-4-amino-5-iodo-6-methyltetrahydro-2H-pyran-2-yl]oxy]-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5a,7,8,9,10,11a-hexahydrotetracene-5,12-dione
-
 Homo sapiens
6.5.1.1 (8S)-8-acetyl-10-[[(2R,4R)-4-amino-6-methyltetrahydro-2H-pyran-2-yl]oxy]-6,8,11-trihydroxy-1-methoxy-5a,7,8,9,10,11a-hexahydrotetracene-5,12-dione
-
 Homo sapiens
6.5.1.1 (9S)-7-[[(2R,4R)-4-amino-6-methyltetrahydro-2H-pyran-2-yl]oxy]-6,9,11-trihydroxy-9-(hydroxyacetyl)-5a,7,8,9,10,11a-hexahydrotetracene-5,12-dione
-
 Homo sapiens
6.5.1.1 (9S)-9-acetyl-7-[[(2S,5R)-5-amino-6-methyltetrahydro-2H-pyran-2-yl]oxy]-6,9,11-trihydroxy-5a,7,8,9,10,11a-hexahydrotetracene-5,12-dione
-
 Homo sapiens
6.5.1.1 12-(6-piperidin-1-ylhexyl)-7,12-dihydro-6H-[1]benzothiepino[5,4-b]indole
-
 Homo sapiens
6.5.1.1 4-demethyl-6-deoxydaunorubicin
-
 Homo sapiens
6.5.1.1 aleuritolic acid
-
 Homo sapiens
6.5.1.1 chelerythrine chloride low active inhibitor Homo sapiens
6.5.1.1 doxorubicin an antitumor drug, potent inhibitor Homo sapiens
6.5.1.1 Fagaronine chloride most potent inhibitor Homo sapiens
6.5.1.1 Fulvoplumierin
-
 Homo sapiens
6.5.1.1 additional information not inhibited by apigenin, betulinic acid, (-)-catechin, chloroquine, chelidonine, N-demethylfagaronine, berberine, coptisine chloride, tetrahydroberberine, and tertahydropalmatine Homo sapiens
6.5.1.1 morin
-
 Homo sapiens
6.5.1.1 myricetin
-
 Homo sapiens
6.5.1.1 N-[5-([5-[(3-amino-3-iminopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl]carbamoyl)-1-methyl-1H-pyrrol-3-yl]-4-(formylamino)-1-methyl-1H-pyrrole-2-carboxamide hydrochloride distamycin A Homo sapiens
6.5.1.1 N-[5-([5-[(3-amino-3-iminopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl]carbamoyl)-1-methyl-1H-pyrrol-3-yl]-4-[([4-[bis(2-chloroethyl)amino]phenyl]carbonyl)amino]-1-methyl-1H-pyrrole-2-carboxamide hydrochloride FCE-24517 Homo sapiens
6.5.1.1 Nitidine chloride most potent inhibitor Homo sapiens
6.5.1.1 oleanolic acid
-
 Homo sapiens
6.5.1.1 Protolichesterinic acid
-
 Homo sapiens
6.5.1.1 sanguinarine low active inhibitor Homo sapiens
6.5.1.1 Swertifrancheside flavonoxanthone glucoside Homo sapiens
6.5.1.1 ursolic acid
-
 Homo sapiens
6.5.1.2 (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
6.5.1.2 (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
6.5.1.2 2,4-diamino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carbonitrile powerful inhibitor, exhibits good inhibition at nanomolar concentrations Escherichia coli
6.5.1.2 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide powerful inhibitor, exhibits good inhibition at nanomolar concentrations Escherichia coli
6.5.1.2 2-amino-5H-chromeno[2,3-b]pyridine-3-carboxamide powerful inhibitor, exhibits good inhibition at nanomolar concentrations Escherichia coli
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 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
6.5.1.2 Chloroquine effective inhibitor Escherichia coli
6.5.1.2 Chloroquine
-
 Mycobacterium tuberculosis
6.5.1.2 doxorubicin doxorubicin inhibits the ATP-dependent DNA ligase of bacteriophage T4 and the Escherichia coli NAD+-dependent ligase with a similar potency Escherichia coli
6.5.1.2 ethyl-3-O-benzyl-5,6-dideoxy-1,2-O-(1-methylethylidene)-5-[[(phenylcarbonyl)carbamoyl]amino]-alpha-L-xylo-heptofuranuronate
-
 Mycobacterium tuberculosis
6.5.1.2 ethyl-3-O-benzyl-5-[benzyl[(4-chlorophenyl)carbamoyl]amino]-5,6-dideoxy-1,2-O-(1-methylethylidene)-alpha-L-xylo-heptofuranuronate
-
 Mycobacterium tuberculosis
6.5.1.2 hydroxychloroquine specific inhibitor of the Escherichia coli enzyme Escherichia coli
6.5.1.2 additional information not inhibited by cinchonidine, quinine, and N,N'-bis[4chloroquinolin-8-yl]succinamide Escherichia coli
6.5.1.2 N,N'-bis[4-((4-(diethylamino)-1-methylbutyl)amino)-quinoline-6-yl]sebacamide powerful inhibitor, exhibits good inhibition at nanomolar concentrations Escherichia coli
6.5.1.2 N,N'-bis[4-((4-(diethylamino)-1-methylbutyl)amino)-quinoline-8-yl]adipamide powerful inhibitor, exhibits good inhibition at nanomolar concentrations Escherichia coli
6.5.1.2 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
6.5.1.2 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
6.5.1.2 Quinacrine powerful inhibitor, exhibits good inhibition at nanomolar concentrations Escherichia coli

Organism

EC Number Organism UniProt Comment Textmining
6.5.1.1 Homo sapiens
-
-
-
6.5.1.2 Enterococcus faecalis Q837V6
-
-
6.5.1.2 Escherichia coli
-
-
-
6.5.1.2 Geobacillus stearothermophilus O87703
-
-
6.5.1.2 Mycobacterium tuberculosis P9WNV1
-
-
6.5.1.2 Mycobacterium tuberculosis H37Rv P9WNV1
-
-
6.5.1.2 Thermus filiformis Q9ZHI0
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
6.5.1.1 ATP + (deoxyribonucleotide)n + (deoxyribonucleotide)m DNA ligase I ligates Okazaki fragments during lagging strand DNA replication events Homo sapiens AMP + diphosphate + (deoxyribonucleotide)m+n
-
 ?
6.5.1.2 NAD+ + (deoxyribonucleotide)n + (deoxyribonucleotide)m
-
 Escherichia coli AMP + nicotinamide nucleotide + (deoxyribonucleotide)n+m
-
 ?
6.5.1.2 NAD+ + (deoxyribonucleotide)n + (deoxyribonucleotide)m
-
 Thermus filiformis AMP + nicotinamide nucleotide + (deoxyribonucleotide)n+m
-
 ?
6.5.1.2 NAD+ + (deoxyribonucleotide)n + (deoxyribonucleotide)m
-
 Enterococcus faecalis AMP + nicotinamide nucleotide + (deoxyribonucleotide)n+m
-
 ?
6.5.1.2 NAD+ + (deoxyribonucleotide)n + (deoxyribonucleotide)m
-
 Geobacillus stearothermophilus AMP + nicotinamide nucleotide + (deoxyribonucleotide)n+m
-
 ?
6.5.1.2 NAD+ + (deoxyribonucleotide)n + (deoxyribonucleotide)m
-
 Mycobacterium tuberculosis AMP + nicotinamide nucleotide + (deoxyribonucleotide)n+m
-
 ?
6.5.1.2 NAD+ + (deoxyribonucleotide)n + (deoxyribonucleotide)m
-
 Mycobacterium tuberculosis H37Rv AMP + nicotinamide nucleotide + (deoxyribonucleotide)n+m
-
 ?

Synonyms

EC Number Synonyms Comment Organism
6.5.1.1 DNA ligase I
-
 Homo sapiens
6.5.1.2 LigA
-
 Escherichia coli
6.5.1.2 LigA
-
 Thermus filiformis
6.5.1.2 LigA
-
 Enterococcus faecalis
6.5.1.2 LigA
-
 Geobacillus stearothermophilus
6.5.1.2 LigA
-
 Mycobacterium tuberculosis
6.5.1.2 NAD+-dependent DNA ligase
-
 Escherichia coli
6.5.1.2 NAD+-dependent DNA ligase
-
 Thermus filiformis
6.5.1.2 NAD+-dependent DNA ligase
-
 Enterococcus faecalis
6.5.1.2 NAD+-dependent DNA ligase
-
 Geobacillus stearothermophilus
6.5.1.2 NAD+-dependent DNA ligase
-
 Mycobacterium tuberculosis

Cofactor

EC Number Cofactor Comment Organism Structure
6.5.1.1 ATP
-
 Homo sapiens
6.5.1.2 NAD+
-
 Escherichia coli
6.5.1.2 NAD+
-
 Thermus filiformis
6.5.1.2 NAD+
-
 Enterococcus faecalis
6.5.1.2 NAD+
-
 Geobacillus stearothermophilus
6.5.1.2 NAD+
-
 Mycobacterium tuberculosis

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
6.5.1.1 0.027
-
-
 Homo sapiens Fagaronine chloride
6.5.1.1 0.069
-
-
 Homo sapiens Nitidine chloride
6.5.1.1 0.091
-
-
 Homo sapiens myricetin
6.5.1.1 0.105
-
-
 Homo sapiens Swertifrancheside
6.5.1.1 0.205
-
-
 Homo sapiens aleuritolic acid
6.5.1.1 0.216
-
-
 Homo sapiens ursolic acid
6.5.1.1 0.216
-
-
 Homo sapiens oleanolic acid
6.5.1.1 0.226
-
-
 Homo sapiens chelerythrine chloride
6.5.1.1 0.236
-
-
 Homo sapiens morin
6.5.1.1 0.322
-
-
 Homo sapiens sanguinarine
6.5.1.1 0.357
-
-
 Homo sapiens Fulvoplumierin
6.5.1.1 0.387
-
-
 Homo sapiens Protolichesterinic acid
6.5.1.2 0.00004
-
-
 Escherichia coli 2-amino-7-fluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide
6.5.1.2 0.00008
-
-
 Escherichia coli 2-amino-7,8-difluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide
6.5.1.2 0.0001
-
-
 Escherichia coli 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide
6.5.1.2 0.0009
-
-
 Escherichia coli 2,4-diamino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carbonitrile
6.5.1.2 0.0015
-
-
 Escherichia coli Quinacrine
6.5.1.2 0.0018
-
-
 Escherichia coli N,N'-bis[4-((4-(diethylamino)-1-methylbutyl)amino)-quinoline-6-yl]sebacamide
6.5.1.2 0.004
-
-
 Mycobacterium tuberculosis ethyl-3-O-benzyl-5,6-dideoxy-1,2-O-(1-methylethylidene)-5-[[(phenylcarbonyl)carbamoyl]amino]-alpha-L-xylo-heptofuranuronate
6.5.1.2 0.009
-
-
 Escherichia coli N,N'-bis[4-((4-(diethylamino)-1-methylbutyl)amino)-quinoline-8-yl]adipamide
6.5.1.2 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
6.5.1.2 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
6.5.1.2 0.046
-
 chloroquine inhibits the enzyme with an IC50 of about 0.046 mM Mycobacterium tuberculosis Chloroquine
6.5.1.2 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)
6.5.1.2 0.053
-
-
 Escherichia coli Chloroquine
6.5.1.2 0.063
-
-
 Escherichia coli hydroxychloroquine
6.5.1.2 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)
6.5.1.2 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)
6.5.1.2 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)