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Literature summary extracted from

  • Yadav, N.; Khanam, T.; Shukla, A.; Rai, N.; Hajela, K.; Ramachandran, R.
    Tricyclic dihydrobenzoxazepine and tetracyclic indole derivatives can specifically target bacterial DNA ligases and can distinguish them from human DNA ligase I (2015), Org. Biomol. Chem., 13, 5475-5487 .
    View publication on PubMed

Inhibitors

EC Number Inhibitors Comment Organism Structure
6.5.1.2 1-(4-aminopiperidin-1-yl)-6-(6,7-dihydro-12H-benzo[2,3]oxepino[4,5-b]indol-12-yl)-hexane-2-ol
-
 Mycobacterium tuberculosis
6.5.1.2 1-(4-aminopiperidin-1-yl)-6-(dibenzo[b,e][1,4]oxazepin-5(11H)-yl)hexan-2-ol
-
 Mycobacterium tuberculosis
6.5.1.2 6-(dibenzo[b,f][1,4]oxazepin-10(11H)-yl)-1-(piperidin-1-yl)hexan-2-ol
-
 Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
6.5.1.2 NAD+ + (deoxyribonucleotide)n-3'-hydroxyl + 5'-phospho-(deoxyribonucleotide)m Mycobacterium tuberculosis
-
 (deoxyribonucleotide)n+m + AMP + beta-nicotinamide D-nucleotide
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
6.5.1.2 Mycobacterium tuberculosis
-
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
6.5.1.2 NAD+ + (deoxyribonucleotide)n-3'-hydroxyl + 5'-phospho-(deoxyribonucleotide)m
-
 Mycobacterium tuberculosis (deoxyribonucleotide)n+m + AMP + beta-nicotinamide D-nucleotide
-
 ?

Synonyms

EC Number Synonyms Comment Organism
6.5.1.2 LigA
-
 Mycobacterium tuberculosis
6.5.1.2 NAD(+)-dependent DNA ligase
-
 Mycobacterium tuberculosis

Cofactor

EC Number Cofactor Comment Organism Structure
6.5.1.2 NAD+
-
 Mycobacterium tuberculosis

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
6.5.1.2 0.0942
-
 1-(4-aminopiperidin-1-yl)-6-(dibenzo[b,e][1,4]oxazepin-5(11H)-yl)hexan-2-ol pH and temperature not specified in the publication Mycobacterium tuberculosis
6.5.1.2 0.0977
-
 1-(4-aminopiperidin-1-yl)-6-(6,7-dihydro-12H-benzo[2,3]oxepino[4,5-b]indol-12-yl)-hexane-2-ol pH and temperature not specified in the publication Mycobacterium tuberculosis