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Literature summary for 1.3.1.118 extracted from

  • Lu, X.; You, Q.; Chen, Y.
    Recent progress in the identification and development of InhA direct inhibitors of mycobacterium tuberculosis (2010), Mini Rev. Med. Chem., 10, 182-193 .
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
(4-(9H-fluoren-9-yl)piperazin-1-yl)(indolin-5-yl)methanone i.e. Genz10850 Mycobacterium tuberculosis
(4-benzylpiperidin-1-yl)(4-methylphenyl)methanone
-
Mycobacterium tuberculosis
(4-benzylpiperidin-1-yl)(p-tolyl)methanone
-
Mycobacterium tuberculosis
1-cyclohexyl-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
-
Mycobacterium tuberculosis
1-cyclohexyl-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
-
Mycobacterium tuberculosis
1-cyclohexyl-N-(5'-hydroxy-[1,1':4',1''-terphenyl]-2'-yl)-5-oxopyrrolidine-3-carboxamide
-
Mycobacterium tuberculosis
4-(trifluoromethyl)-2-(4,5-dihydro-4-(2,4-dinitrophenyl)pyrazol-1-yl)pyrimidine i.e. Genz8575 Mycobacterium tuberculosis
5-butyl-2-phenoxyphenol
-
Mycobacterium tuberculosis
5-ethyl-2-phenoxyphenol
-
Mycobacterium tuberculosis
5-hexyl-2-phenoxyphenol
-
Mycobacterium tuberculosis
5-octyl-2-phenoxyphenol
-
Mycobacterium tuberculosis
5-pentyl-2-phenoxyphenol
-
Mycobacterium tuberculosis
5-tetradecyl-2-phenoxyphenol
-
Mycobacterium tuberculosis
Ethionamide the prodrug requires activation by EthA, a flavin-dependent monooxygenase. According to the crystal structure of InhA with bound ethionamide-NAD adduct, the ethyl-isonicotinic-acyl moiety is located in a hydrophobic pocket formed by the rearrangement of the side chain of Phe149, and an aromatic ringstacking interaction with the pyridine ring Mycobacterium tuberculosis
isoniazid as a pro-drug, isoniazid requires activation by KatG, a catalase-peroxidase enzyme with dual activities of catalase and peroxidase oxidizing isoniazid to an acyl radical binding to position 4 of nicotinamide adenine dinucleotide (NAD) to form an active isoniazid-NAD adduct. Addition of the isonicotinoyl radical to position 4 of the nicotinamide ring can result in two stereoisomersi n which only 4(S) isomers of isoniazid-NAD adduct possess potent activity Mycobacterium tuberculosis
N-([1,1'-biphenyl]-4-yl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
Mycobacterium tuberculosis
prothionamide the prodrug requires activation by EthA, a flavin-dependent monooxygenase. According to the crystal structure of InhA with bound prothionamide-NAD adduct, the propyl-isonicotinic-acyl moiety is located in a hydrophobic pocket formed by the rearrangement of the side chain of Phe149, and an aromatic ringstacking interaction with the pyridine ring Mycobacterium tuberculosis
triclosan uncompetitive inhibitor Mycobacterium tuberculosis

Organism

Organism UniProt Comment Textmining
Mycobacterium tuberculosis P9WGR1
-
-
Mycobacterium tuberculosis ATCC 25618 P9WGR1
-
-

Synonyms

Synonyms Comment Organism
InhA
-
Mycobacterium tuberculosis

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.0000011
-
5-octyl-2-phenoxyphenol pH and temperature not specified in the publication Mycobacterium tuberculosis
0.0000094
-
5-hexyl-2-phenoxyphenol pH and temperature not specified in the publication Mycobacterium tuberculosis
0.0000118
-
5-pentyl-2-phenoxyphenol pH and temperature not specified in the publication Mycobacterium tuberculosis
0.00003
-
5-tetradecyl-2-phenoxyphenol pH and temperature not specified in the publication Mycobacterium tuberculosis
0.0002
-
triclosan pH and temperature not specified in the publication Mycobacterium tuberculosis

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00001005
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 1-cyclohexyl-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
0.00014
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 1-cyclohexyl-N-(5'-hydroxy-[1,1':4',1''-terphenyl]-2'-yl)-5-oxopyrrolidine-3-carboxamide
0.00039
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 1-cyclohexyl-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
0.00039
-
pH and temperature not specified in the publication Mycobacterium tuberculosis N-([1,1'-biphenyl]-4-yl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
0.00516
-
pH and temperature not specified in the publication Mycobacterium tuberculosis (4-benzylpiperidin-1-yl)(p-tolyl)methanone