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 | 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 | UniProt | Comment | Textmining |
---|---|---|---|
Mycobacterium tuberculosis | P9WGR1 | cf. EC 1.3.1.9 | - |
Mycobacterium tuberculosis ATCC 25618 | P9WGR1 | cf. EC 1.3.1.9 | - |
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 | Comment | Organism |
---|---|---|
enoyl acyl carrier protein reductase InhA | - |
Mycobacterium tuberculosis |
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 | Comment | Organism |
---|---|---|
metabolism | the enzyme is involved in the type II fatty acid biosynthesis pathway of Mycobacterium tuberculosis | Mycobacterium tuberculosis |