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Literature summary for 1.3.1.9 extracted from

  • Martinelli, L.K.B.; Rotta, M.; Villela, A.D.; Rodrigues-Junior, V.S.; Abbadi, B.L.; Trindade, R.V.; Petersen, G.O.; Danesi, G.M.; Nery, L.R.; Pauli, I.; Campos, M.M.; Bonan, C.D.; de Souza, O.N.; Basso, L.A.; Santos, D.S.
    Functional, thermodynamics, structural and biological studies of in silico-identified inhibitors of Mycobacterium tuberculosis enoyl-ACP(CoA) reductase enzyme (2017), Sci. Rep., 7, 46696.
    View publication on PubMedView publication on EuropePMC
Search for more literature for 1.3.1.9

Inhibitors

Inhibitors Comment Organism Structure
(2E)-3-[4-(benzyloxy)phenyl]-2-cyano-N-(6-methylpyridin-2-yl)prop-2-enamide
-
 Mycobacterium tuberculosis
(4S)-1-(2,4-dimethylphenyl)-4-(3-{4-[(propan-2-yl)oxy]phenyl}-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
-
 Mycobacterium tuberculosis
(4S)-1-(3,4-dimethylphenyl)-4-(3-{4-[(propan-2-yl)oxy]phenyl}-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
-
 Mycobacterium tuberculosis
2-[(2-fluorophenyl)methyl]-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
-
 Mycobacterium tuberculosis
3-(4-methoxyphenyl)-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propanamide
-
 Mycobacterium tuberculosis
4-(7-chloroquinolin-4-yl)-2-[(diethylamino)methyl]phenol
-
 Mycobacterium tuberculosis
4-[(3'-methoxy[1,1'-biphenyl]-3-yl)carbamoyl]-1-(3-methylbut-2-en-1-yl)piperidin-1-ium
-
 Mycobacterium tuberculosis
isoniazid
-
 Mycobacterium tuberculosis
N'-[(Z)-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylidene]-2,8-dimethylquinoline-4-carbohydrazide
-
 Mycobacterium tuberculosis
N-(2-phenoxyphenyl)-2-[2-(pyridin-2-yl)-1,3-thiazol-4-yl]acetamide
-
 Mycobacterium tuberculosis
N-(4-bromo-3-methylphenyl)-2-[2-(thiophen-3-yl)-1,3-thiazol-4-yl]acetamide
-
 Mycobacterium tuberculosis
N-(4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl)thiophene-2-carboxamide
-
 Mycobacterium tuberculosis
N-phenyl-N'-[5-(4-propoxyphenyl)-1,3,4-thiadiazol-2-yl]urea
-
 Mycobacterium tuberculosis
N-[2-(4-anilinoanilino)-2-oxoethyl]-2H-1,3-benzodioxole-5-carboxamide
-
 Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
a trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+ Mycobacterium tuberculosis
-
 an acyl-[acyl-carrier protein] + NAD+
-
 ?
a trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+ Mycobacterium tuberculosis H37Rv
-
 an acyl-[acyl-carrier protein] + NAD+
-
 ?

Organism

Organism UniProt Comment Textmining
Mycobacterium tuberculosis
-
-
-
Mycobacterium tuberculosis H37Rv
-
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2-trans-dodecenoyl-CoA + NADH + H+
-
 Mycobacterium tuberculosis dodecanoyl-CoA + NAD+
-
 ?
2-trans-dodecenoyl-CoA + NADH + H+
-
 Mycobacterium tuberculosis H37Rv dodecanoyl-CoA + NAD+
-
 ?
a trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+
-
 Mycobacterium tuberculosis an acyl-[acyl-carrier protein] + NAD+
-
 ?
a trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+
-
 Mycobacterium tuberculosis H37Rv an acyl-[acyl-carrier protein] + NAD+
-
 ?

Synonyms

Synonyms Comment Organism
2-trans-enoyl-ACP(CoA) reductase
-
 Mycobacterium tuberculosis
InhA
-
 Mycobacterium tuberculosis

Cofactor

Cofactor Comment Organism Structure
NADH
-
 Mycobacterium tuberculosis

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0098
-
 at pH 7.0 and 25°C Mycobacterium tuberculosis 3-(4-methoxyphenyl)-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propanamide
0.018
-
 at pH 7.0 and 25°C Mycobacterium tuberculosis 2-[(2-fluorophenyl)methyl]-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
0.019
-
 at pH 7.0 and 25°C Mycobacterium tuberculosis N-phenyl-N'-[5-(4-propoxyphenyl)-1,3,4-thiadiazol-2-yl]urea
0.02
-
 at pH 7.0 and 25°C Mycobacterium tuberculosis N'-[(Z)-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylidene]-2,8-dimethylquinoline-4-carbohydrazide
0.024
-
 at pH 7.0 and 25°C Mycobacterium tuberculosis N-(4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl)thiophene-2-carboxamide
0.083
-
 at pH 7.0 and 25°C Mycobacterium tuberculosis 4-(7-chloroquinolin-4-yl)-2-[(diethylamino)methyl]phenol
0.087
-
 at pH 7.0 and 25°C Mycobacterium tuberculosis N'-[(Z)-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylidene]-2,8-dimethylquinoline-4-carbohydrazide