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