Cloned (Comment) | Organism |
---|---|
expressed in Escherichia coli BL21 cells | Mycobacterium tuberculosis |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
1-(2-(4-(1H-pyrrol-1-yl)phenoxy)acetyl)-1,2-diazepane-3,7-dione | 18% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
1-(2-(4-(1H-pyrrol-1-yl)phenoxy)acetyl)-1,2-dihydropyridazine-3,6-dione | less than 5% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
1-(2-(4-(1H-pyrrol-1-yl)phenoxy)acetyl)-4-methyl-1,2-dihydropyridazine-3,6-dione | 42% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
1-(2-(4-(1H-pyrrol-1-yl)phenoxy)acetyl)-4-methylenetetrahydropyridazine-3,6-dione | 50% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
1-(2-(4-(1H-pyrrol-1-yl)phenoxy)acetyl)tetrahydropyridazine-3,6-dione | 32% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
1-(4-(1H-pyrrol-1-yl)benzoyl)-1,2-diazepane-3,7-dione | 27% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
1-(4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl)-1,2-diazepane-3,7-dione | 13% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
2-(2-(4-(1H-pyrrol-1-yl)phenoxy)acetyl)-2,3-dihydrophthalazine-1,4-dione | 63% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
2-(2-(4-(1H-pyrrol-1-yl)phenoxy)acetyl)-5,6,7,8-tetrabromo-2,3-dihydrophthalazine-1,4-dione | 11% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
2-(2-(4-(1H-pyrrol-1-yl)phenoxy)acetyl)-5,6,7,8-tetrachloro-2,3-dihydrophthalazine-1,4-dione | 12% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
2-(2-(4-(1H-pyrrol-1-yl)phenoxy)acetyl)octahydrophthalazine-1,4-dione | less than 5% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)benzoyl)-5,6,7,8-tetrabromo-2,3-dihydrophthalazine-1,4-dione | 72% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)benzoyl)-5,6,7,8-tetrachloro-2,3-dihydrophthalazine-1,4-dione | 64% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(1-(4-bromophenyl)ethylidene)acetohydrazide | 27% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(1-(4-chlorophenyl)ethylidene)acetohydrazide | - |
Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(1-(4-hydroxyphenyl)ethylidene)acetohydrazide | - |
Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(1-(4-nitrophenyl)ethylidene)acetohydrazide | 51% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(1-phenylethylidene)acetohydrazide | 34% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(2,3-dichlorobenzylidene)acetohydrazide | - |
Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(2,4-dichlorobenzylidene)acetohydrazide | - |
Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(2,4-dimethoxybenzylidene)acetohydrazide | 37% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(2,6-dichlorobenzylidene)acetohydrazide | - |
Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(2-chlorobenzylidene)acetohydrazide | - |
Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(2-nitrobenzylidene)acetohydrazide | - |
Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(3,4-dichlorobenzylidene)acetohydrazide | - |
Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(3-bromobenzylidene)acetohydrazide | - |
Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(3-ethoxy-4-hydroxybenzylidene)acetohydrazide | - |
Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(3-hydroxybenzylidene)acetohydrazide | - |
Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(3-methoxybenzylidene)acetohydrazide | - |
Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(3-phenoxybenzylidene)acetohydrazide | 15% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(4-chlorobenzylidene)acetohydrazide | - |
Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(4-fluorobenzylidene)acetohydrazide | - |
Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(4-hydroxy-3-methoxybenzylideneacetohydrazide | - |
Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(4-hydroxybenzylidene)acetohydrazide | - |
Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(4-isopropylbenzylidene)acetohydrazide | - |
Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(4-methoxybenzylidene)acetohydrazide | 21% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(4-methylbenzylidene)acetohydrazide | - |
Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-benzylideneacetohydrazide | - |
Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N-(1,3-dioxoisoindolin-2-yl)acetamide | 25% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N-(1,3-dioxooctahydro-2H-isoindol-2-yl)acetamide | - |
Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N-(2,5-dioxo-2,5-dihydro-1Hpyrrol-1-yl)acetamide | 10% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N-(2,5-dioxopyrrolidin-1-yl)acetamide | less than 5% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N-(2,6-dioxopiperidin-1-yl)acetamide | 20% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N-(3-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetamide | 10% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N-(3-methylene-2,5-dioxopyrrolidin-1-yl)acetamide | 21% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)acetamide | - |
Mycobacterium tuberculosis | |
2-(4-(1H-pyrrol-1-yl)phenoxy)-N-(4,5,6,7-tetrachloro-1,3-dioxoisoindolin-2-yl)acetamide | - |
Mycobacterium tuberculosis | |
2-(4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl)-5,6,7,8-tetrabromo-2,3-dihydrophthalazine-1,4-dione | 75% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
2-(4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl)-5,6,7,8-tetrachloro-2,3-dihydrophthalazine-1,4-dione | 76% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
5-((4-(1H-pyrrol-1-yl)phenoxy)methyl)-1,3,4-oxadiazole-2-thiol | 57% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
5-((4-(1H-pyrrol-1-yl)phenoxy)methyl)-4-amino-2,4-dihydro-3H-1,2,4-triazole-3-thione | - |
Mycobacterium tuberculosis | |
isoniazid | - |
Mycobacterium tuberculosis | |
N'-((1H-indol-3-yl)methylene)2-(4-(1H-pyrrol-1-yl)phenoxy)acetohydrazide | 19% inhibition at 0.05 mM | Mycobacterium tuberculosis | |
opiniazide | - |
Mycobacterium tuberculosis | |
phtivazid | - |
Mycobacterium tuberculosis | |
triclosan | more than 99% inhibition at 0.05 mM | Mycobacterium tuberculosis |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
trans-DELTA2-enolyl-[acyl-carrier protein] + NADH + H+ | Mycobacterium tuberculosis | - |
enolyl-[acyl-carrier protein] + NAD+ | - |
? | |
trans-DELTA2-enolyl-[acyl-carrier protein] + NADH + H+ | Mycobacterium tuberculosis H37Rv | - |
enolyl-[acyl-carrier protein] + NAD+ | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Mycobacterium tuberculosis | P9WGR1 | - |
- |
Mycobacterium tuberculosis H37Rv | P9WGR1 | - |
- |
Purification (Comment) | Organism |
---|---|
Ni-NTA agarose column chromatography | Mycobacterium tuberculosis |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
trans-2-dodecenoyl-CoA + NADH + H+ | - |
Mycobacterium tuberculosis | dodecanoyl-CoA + NAD+ | - |
? | |
trans-2-dodecenoyl-CoA + NADH + H+ | - |
Mycobacterium tuberculosis H37Rv | dodecanoyl-CoA + NAD+ | - |
? | |
trans-DELTA2-enolyl-[acyl-carrier protein] + NADH + H+ | - |
Mycobacterium tuberculosis | enolyl-[acyl-carrier protein] + NAD+ | - |
? | |
trans-DELTA2-enolyl-[acyl-carrier protein] + NADH + H+ | - |
Mycobacterium tuberculosis H37Rv | enolyl-[acyl-carrier protein] + NAD+ | - |
? |
Synonyms | Comment | Organism |
---|---|---|
2-trans-enoyl-ACP reductase | - |
Mycobacterium tuberculosis |
InhA | - |
Mycobacterium tuberculosis |
Cofactor | Comment | Organism | Structure |
---|---|---|---|
NADH | - |
Mycobacterium tuberculosis |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.0126 | - |
at pH 6.8 and 25°C | Mycobacterium tuberculosis | 2-(4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl)-5,6,7,8-tetrabromo-2,3-dihydrophthalazine-1,4-dione | |
0.0311 | - |
at pH 6.8 and 25°C | Mycobacterium tuberculosis | 2-(4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl)-5,6,7,8-tetrachloro-2,3-dihydrophthalazine-1,4-dione | |
0.05 | - |
at pH 6.8 and 25°C | Mycobacterium tuberculosis | 1-(2-(4-(1H-pyrrol-1-yl)phenoxy)acetyl)-4-methylenetetrahydropyridazine-3,6-dione |