Cloned (Comment) | Organism |
---|---|
expression in Escherichia coli BL-21 | Mycobacterium tuberculosis |
Protein Variants | Comment | Organism |
---|---|---|
D148G | diazaborine-resistant mutant | Mycobacterium tuberculosis |
E219A | diazaborine-resistant mutant | Mycobacterium tuberculosis |
E219G | diazaborine-resistant mutant | Mycobacterium tuberculosis |
I16T | diazaborine-resistant mutant | Mycobacterium tuberculosis |
I202T | diazaborine-resistant mutant | Mycobacterium tuberculosis |
P151S | diazaborine-resistant mutant | Mycobacterium tuberculosis |
R195L | diazaborine-resistant mutant | Mycobacterium tuberculosis |
R195Q | diazaborine-resistant mutant | Mycobacterium tuberculosis |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
2-(ethanesulfonyl)-6-[2-[(E)-(hydroxyimino)methyl]-4-(trifluoromethyl)phenoxy]-2,3,1-benzodiazaborinin-1(2H)-ol | - |
Mycobacterium tuberculosis | |
2-(ethanesulfonyl)-7-[2-[(Z)-(hydroxyimino)methyl]-4-(trifluoromethyl)phenoxy]-2,3,1-benzodiazaborinin-1(2H)-ol | diazaborine, in vitro bactericidal activity against replicating bacteria active against several drug-resistant clinical isolates. AN12855 binds to and inhibits the substrate-binding site of InhA in a cofactor-independent manner. It shows good drug exposure after i.v. and oral delivery, with 53% oral bioavailability. Delivered orally, AN12855 exhibits dose-dependent efficacy in both an acute and chronic murine model of tuberculosis infection. AN12855 is a promising candidate for the development of new antitubercular agents | Mycobacterium tuberculosis | |
4-[[1-hydroxy-2-(methanesulfonyl)-1,2-dihydro-2,3,1-benzodiazaborinin-7-yl]oxy]benzonitrile | - |
Mycobacterium tuberculosis | |
5-[2-[(E)-(hydroxyimino)methyl]phenoxy]-2,1-benzoxaborol-1(3H)-ol | - |
Mycobacterium tuberculosis | |
6-[4-(trifluoromethyl)phenoxy]-2,1-benzoxaborol-1(3H)-ol | - |
Mycobacterium tuberculosis | |
7-[2-[(Z)-(hydroxyimino)methyl]-4-(trifluoromethyl)phenoxy]-2-(methanesulfonyl)-2,3,1-benzodiazaborinin-1(2H)-ol | - |
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 |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.00003 | - |
pH 6.8, 23°C | Mycobacterium tuberculosis | 2-(ethanesulfonyl)-7-[2-[(Z)-(hydroxyimino)methyl]-4-(trifluoromethyl)phenoxy]-2,3,1-benzodiazaborinin-1(2H)-ol | |
0.0004 | - |
pH 6.8, 23°C | Mycobacterium tuberculosis | 7-[2-[(Z)-(hydroxyimino)methyl]-4-(trifluoromethyl)phenoxy]-2-(methanesulfonyl)-2,3,1-benzodiazaborinin-1(2H)-ol | |
0.0023 | - |
pH 6.8, 23°C | Mycobacterium tuberculosis | 2-(ethanesulfonyl)-6-[2-[(E)-(hydroxyimino)methyl]-4-(trifluoromethyl)phenoxy]-2,3,1-benzodiazaborinin-1(2H)-ol | |
0.012 | - |
pH 6.8, 23°C | Mycobacterium tuberculosis | 5-[2-[(E)-(hydroxyimino)methyl]phenoxy]-2,1-benzoxaborol-1(3H)-ol | |
0.044 | - |
pH 6.8, 23°C | Mycobacterium tuberculosis | 6-[4-(trifluoromethyl)phenoxy]-2,1-benzoxaborol-1(3H)-ol | |
0.079 | - |
pH 6.8, 23°C | Mycobacterium tuberculosis | 4-[[1-hydroxy-2-(methanesulfonyl)-1,2-dihydro-2,3,1-benzodiazaborinin-7-yl]oxy]benzonitrile |