Crystallization (Comment) | Organism |
---|---|
crystallization and structure determination of InhA ternary complexes with PT501, PT504, PT506, PT511, PT512 and PT514 | Mycobacterium tuberculosis |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
2-(2-bromophenoxy)-5-hexylphenol | - |
Mycobacterium tuberculosis | |
2-(2-chlorophenoxy)-5-hexylphenol | - |
Mycobacterium tuberculosis | |
2-(2-chlorophenoxy)-5-[(4-cyclopropyl-1H-1,2,3-triazol-1-yl)methyl]phenol | - |
Mycobacterium tuberculosis | |
2-(2-fluorophenoxy)-5-hexylphenol | - |
Mycobacterium tuberculosis | |
2-(2-methylphenoxy)-5-[[4-(3-methylphenyl)-1H-1,2,3-triazol-1-yl]methyl]phenol | - |
Mycobacterium tuberculosis | |
2-(4-hexyl-2-hydroxyphenoxy)benzonitrile | - |
Mycobacterium tuberculosis | |
2-(4-[[4-(2-bromoethyl)-1H-1,2,3-triazol-1-yl]methyl]-2-hydroxyphenoxy)benzonitrile | - |
Mycobacterium tuberculosis | |
2-[2-hydroxy-4-[(4-methyl-1H-1,2,3-triazol-1-yl)methyl]phenoxy]benzonitrile | - |
Mycobacterium tuberculosis | |
2-[4-[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)methyl]-2-hydroxyphenoxy]benzonitrile | - |
Mycobacterium tuberculosis | |
2-[4-[(4-cyclopentyl-1H-1,2,3-triazol-1-yl)methyl]-2-hydroxyphenoxy]benzonitrile | - |
Mycobacterium tuberculosis | |
2-[4-[(4-cyclopropyl-1H-1,2,3-triazol-1-yl)methyl]-2-hydroxyphenoxy]benzonitrile | - |
Mycobacterium tuberculosis | |
2-[4-[(4-ethyl-1H-1,2,3-triazol-1-yl)methyl]-2-hydroxyphenoxy]benzonitrile | - |
Mycobacterium tuberculosis | |
5-hexyl-2-(2-methylphenoxy)phenol | - |
Mycobacterium tuberculosis | |
5-[(4-cyclopropyl-1H-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol | - |
Mycobacterium tuberculosis | |
5-[(4-ethyl-1H-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol | - |
Mycobacterium tuberculosis | |
5-[[4-(4-chlorophenyl)-1H-1,2,3-triazol-1-yl]methyl]-2-(2-methylphenoxy)phenol | - |
Mycobacterium tuberculosis | |
isoniazid | inhibits through the formation of an INH-NAD adduct which is a slow-onset inhibitor of InhA | Mycobacterium tuberculosis | |
N-[(1-[[3-hydroxy-4-(2-methylphenoxy)phenyl]methyl]-1H-1,2,3-triazol-4-yl)methyl]cyclopropanecarboxamide | - |
Mycobacterium tuberculosis |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Mycobacterium tuberculosis | P9WGR1 | - |
- |
Mycobacterium tuberculosis ATCC 25618 | P9WGR1 | - |
- |
Purification (Comment) | Organism |
---|---|
- |
Mycobacterium tuberculosis |
Synonyms | Comment | Organism |
---|---|---|
InhA | - |
Mycobacterium tuberculosis |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
0.000052 | - |
2-(2-chlorophenoxy)-5-hexylphenol | pH 6.8, 23°C | Mycobacterium tuberculosis | |
0.00012 | - |
2-(2-bromophenoxy)-5-hexylphenol | pH 6.8, 23°C | Mycobacterium tuberculosis | |
0.00021 | - |
5-hexyl-2-(2-methylphenoxy)phenol | pH 6.8, 23°C | Mycobacterium tuberculosis | |
0.00022 | - |
2-(2-fluorophenoxy)-5-hexylphenol | pH 6.8, 23°C | Mycobacterium tuberculosis | |
0.0019 | - |
5-[[4-(4-chlorophenyl)-1H-1,2,3-triazol-1-yl]methyl]-2-(2-methylphenoxy)phenol | pH 6.8, 23°C | Mycobacterium tuberculosis | |
0.006 | - |
2-(2-methylphenoxy)-5-[[4-(3-methylphenyl)-1H-1,2,3-triazol-1-yl]methyl]phenol | pH 6.8, 23°C | Mycobacterium tuberculosis | |
0.0063 | - |
2-[4-[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)methyl]-2-hydroxyphenoxy]benzonitrile | pH 6.8, 23°C | Mycobacterium tuberculosis | |
0.0071 | - |
2-(4-[[4-(2-bromoethyl)-1H-1,2,3-triazol-1-yl]methyl]-2-hydroxyphenoxy)benzonitrile | pH 6.8, 23°C | Mycobacterium tuberculosis | |
0.01 | - |
2-(4-hexyl-2-hydroxyphenoxy)benzonitrile | pH 6.8, 23°C | Mycobacterium tuberculosis | |
0.016 | - |
2-(2-chlorophenoxy)-5-[(4-cyclopropyl-1H-1,2,3-triazol-1-yl)methyl]phenol | pH 6.8, 23°C | Mycobacterium tuberculosis | |
0.017 | - |
5-[(4-cyclopropyl-1H-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol | pH 6.8, 23°C | Mycobacterium tuberculosis | |
0.028 | - |
2-[2-hydroxy-4-[(4-methyl-1H-1,2,3-triazol-1-yl)methyl]phenoxy]benzonitrile | pH 6.8, 23°C | Mycobacterium tuberculosis | |
0.05 | - |
2-[4-[(4-ethyl-1H-1,2,3-triazol-1-yl)methyl]-2-hydroxyphenoxy]benzonitrile | pH 6.8, 23°C | Mycobacterium tuberculosis | |
0.083 | - |
2-[4-[(4-cyclopentyl-1H-1,2,3-triazol-1-yl)methyl]-2-hydroxyphenoxy]benzonitrile | pH 6.8, 23°C | Mycobacterium tuberculosis | |
0.099 | - |
2-[4-[(4-cyclopropyl-1H-1,2,3-triazol-1-yl)methyl]-2-hydroxyphenoxy]benzonitrile | pH 6.8, 23°C | Mycobacterium tuberculosis | |
0.11 | - |
5-[(4-ethyl-1H-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol | pH 6.8, 23°C | Mycobacterium tuberculosis | |
1.8 | - |
N-[(1-[[3-hydroxy-4-(2-methylphenoxy)phenyl]methyl]-1H-1,2,3-triazol-4-yl)methyl]cyclopropanecarboxamide | pH 6.8, 23°C | Mycobacterium tuberculosis |