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Literature summary extracted from

  • Dube, D.; Kukshal, V.; Srivastava, S.K.; Tripathi, R.P.; Ramachandran, R.
    NAD+-dependent DNA ligase (Rv3014c) from M. tuberculosis: Strategies for inhibitor design (2008), Med. Chem. Res., 17, 189-198.
No PubMed abstract available

Inhibitors

EC Number Inhibitors Comment Organism Structure
6.5.1.2 (3S,3'R)-3,3'-(propane-1,3-diyldiimino)bis[3-[(3aR,6S,6aR)-6-(benzyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol]
-
 Mycobacterium tuberculosis
6.5.1.2 12-(6-piperidin-1-ylhexyl)-7,12-dihydro-6H-[1]benzothiepino[5,4-b]indole
-
 Mycobacterium tuberculosis
6.5.1.2 ethyl 3-(1-benzyl-3-(4-chlorophenyl)ureido)-3-(6-(benzyloxy)-2,2-dimethyl-dihydro-5H-furo[3,2-d][1,3]dioxol-5-yl)propanoate
-
 Mycobacterium tuberculosis
6.5.1.2 ethyl 3-(3-benzoylthioureido)-3-(6-(benzyloxy)-2,2-dimethyl-dihydro-5H-furo[3,2-d][1,3]dioxol-5-yl)propanoate
-
 Mycobacterium tuberculosis
6.5.1.2 N4-(7-chloro-7,8-dihydroquinolin-4-yl)-N1,N1-diethylpentane-1,4-diamine
-
 Mycobacterium tuberculosis

Organism

EC Number Organism UniProt Comment Textmining
6.5.1.2 Mycobacterium tuberculosis P9WNV1
-
-
6.5.1.2 Mycobacterium tuberculosis H37Rv P9WNV1
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
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
6.5.1.2 LigA
-
 Mycobacterium tuberculosis
6.5.1.2 MtuLigA
-
 Mycobacterium tuberculosis
6.5.1.2 NAD+-dependent DNA ligase
-
 Mycobacterium tuberculosis
6.5.1.2 Rv3014c
-
 Mycobacterium tuberculosis

Cofactor

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

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
6.5.1.2 0.004
-
-
 Mycobacterium tuberculosis ethyl 3-(3-benzoylthioureido)-3-(6-(benzyloxy)-2,2-dimethyl-dihydro-5H-furo[3,2-d][1,3]dioxol-5-yl)propanoate
6.5.1.2 0.00965
-
-
 Mycobacterium tuberculosis ethyl 3-(1-benzyl-3-(4-chlorophenyl)ureido)-3-(6-(benzyloxy)-2,2-dimethyl-dihydro-5H-furo[3,2-d][1,3]dioxol-5-yl)propanoate
6.5.1.2 0.0135
-
-
 Mycobacterium tuberculosis 12-(6-piperidin-1-ylhexyl)-7,12-dihydro-6H-[1]benzothiepino[5,4-b]indole
6.5.1.2 0.046
-
-
 Mycobacterium tuberculosis N4-(7-chloro-7,8-dihydroquinolin-4-yl)-N1,N1-diethylpentane-1,4-diamine
6.5.1.2 0.0462
-
-
 Mycobacterium tuberculosis (3S,3'R)-3,3'-(propane-1,3-diyldiimino)bis[3-[(3aR,6S,6aR)-6-(benzyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol]