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Literature summary for 1.3.1.9 extracted from

  • He, X.; Alian, A.; Ortiz de Montellano, P.
    Inhibition of the Mycobacterium tuberculosis enoyl acyl carrier protein reductase InhA by arylamides (2007), Bioorg. Med. Chem., 15, 6649-6658 .
    View publication on PubMedView publication on EuropePMC
Search for more literature for 1.3.1.9

Crystallization (Commentary)

Crystallization (Comment) Organism
the crystal structure of the enzyme in complex with the inhibitor N-(4-methylbenzoyl)-4-benzylpiperidine reveals the binding mode of the inhibitor within the active site Mycobacterium tuberculosis

Inhibitors

Inhibitors Comment Organism Structure
(1H-indol-5-yl)[4-[(4-methylphenyl)(phenyl)methyl]piperazin-1-yl]methanone 0.015 mM, 74% inhibition Mycobacterium tuberculosis
(4-(9H-fluoren-9-yl) piperazin-1-yl)-(4-methylbenzyl)-methanone 0.015 mM, 99% inhibition Mycobacterium tuberculosis
(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-(1H-indole-5-carbonyl)-methanone 0.015 mM, 84% inhibition Mycobacterium tuberculosis
(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-(4-methylbenzyl)-methanone 0.015 mM, 83% inhibition Mycobacterium tuberculosis
(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-benzyl-methanone 0.015 mM, 81% inhibition Mycobacterium tuberculosis
(4-methylphenyl)[4-[(4-methylphenyl)(phenyl)methyl]piperazin-1-yl]methanone 0.015 mM, 77% inhibition Mycobacterium tuberculosis
[4-(9H-fluoren-9-yl) piperazin-1-yl]-benzyl-methanone 0.015 mM, 97% inhibition Mycobacterium tuberculosis
[4-(9H-fluoren-9-yl)piperazin-1-yl](1H-indol-5-yl)methanone 0.015 mM, 94% inhibition Mycobacterium tuberculosis
[4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl](1H-indol-5-yl)methanone 0.015 mM, 67% inhibition Mycobacterium tuberculosis
[4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl](4-methylphenyl)methanone 0.015 mM, 74% inhibition Mycobacterium tuberculosis
[4-[(4-fluorophenyl)(phenyl)methyl]piperazin-1-yl](1H-indol-5-yl)methanone 0.015 mM, 81% inhibition Mycobacterium tuberculosis
[4-[(4-fluorophenyl)(phenyl)methyl]piperazin-1-yl](phenyl)methanone 0.015 mM, 81% inhibition Mycobacterium tuberculosis

Organism

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

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
trans-2-octenoyl-CoA + NADH + H+
-
 Mycobacterium tuberculosis octanoyl-CoA + NAD+
-
 ?
trans-2-octenoyl-CoA + NADH + H+
-
 Mycobacterium tuberculosis ATCC 25618 octanoyl-CoA + NAD+
-
 ?

Synonyms

Synonyms Comment Organism
enoyl acyl carrier protein reductase InhA
-
 Mycobacterium tuberculosis

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00009
-
 23°C, pH not specified in the publication Mycobacterium tuberculosis [4-(9H-fluoren-9-yl) piperazin-1-yl]-benzyl-methanone
0.0002
-
 23°C, pH not specified in the publication Mycobacterium tuberculosis [4-(9H-fluoren-9-yl)piperazin-1-yl](1H-indol-5-yl)methanone
0.0004
-
 23°C, pH not specified in the publication Mycobacterium tuberculosis (4-(9H-fluoren-9-yl) piperazin-1-yl)-(4-methylbenzyl)-methanone
0.00104
-
 23°C, pH not specified in the publication Mycobacterium tuberculosis (4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-(1H-indole-5-carbonyl)-methanone
0.00189
-
 23°C, pH not specified in the publication Mycobacterium tuberculosis (4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-(4-methylbenzyl)-methanone
0.00204
-
 23°C, pH not specified in the publication Mycobacterium tuberculosis (4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-benzyl-methanone

General Information

General Information Comment Organism
metabolism the enzyme is involved in the type II fatty acid biosynthesis pathway of Mycobacterium tuberculosis Mycobacterium tuberculosis