Literature summary for 2.6.1.36 extracted from
Dube, D.; Tripathi, S.M.; Ramachandran, R.
Identification of in vitro inhibitors of Mycobacterium tuberculosis lysine epsilon-aminotransferase by pharmacophore mapping and three-dimensional flexible searches (2008), Med. Chem. Res., 17, 182-188.
No PubMed abstract available
Crystallization (Commentary)
Crystallization (Comment) |
Organism |
docking experiments based on crystal structure PDB code 2CJH in order to identify enzyme inhibitors |
Mycobacterium tuberculosis |
Inhibitors
Inhibitors |
Comment |
Organism |
Structure |
2-oxopentanedioic acid |
binding energy 6.48 kcal per mol |
Mycobacterium tuberculosis |
|
2-[methyl[(1-methylpiperidin-2-yl)methyl]amino]-1-phenylethanol |
binding energy 7.23 kcal per mol |
Mycobacterium tuberculosis |
|
N-([2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-5-yl]methyl)-2-(4-methoxyphenyl)acetamide |
binding energy 10.79 kcal per mol |
Mycobacterium tuberculosis |
|
Organism
Organism |
UniProt |
Comment |
Textmining |
Mycobacterium tuberculosis |
P9WQ77 |
- |
- |