EC Number   |
Inhibitors |
Structure |
|---|
    2.7.7.23 | N-cyclohexyl-6-nitroquinazolin-4-amine |
- |
   |
| 2.7.7.23 | N-cyclopropyl-6-nitroquinazolin-4-amine |
- |
|
| 2.7.7.23 | N-ethylmaleimide |
- |
|
| 2.7.7.23 | N-[(1R,2R,4R,6S)-6-(2,3-dihydroxy-5-nitrophenoxy)-2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide |
inhibitor identified by strucutre-based drug design, best binding energy of ?95.2 kcal/mol among the compounds analyzed |
|
| 2.7.7.23 | N-[(2R,3R,4R,6R)-2-(2,3-dihydroxy-5-nitrophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide |
most active inhibitor among compounds tested, forms a hydrogen bonding network with residues Arg116, Gly381, Arg383 and Lys408, with the distance ranging from 2.9 A to and 3.14 A. The hydrophobic interaction is observed with the aromatic ring of Tyr382 with a distance of 3.85 A. The aromatic ring of the inhibitor also interacts with the Lys123 through a pi-cation interaction, with a distance of 3.99 A |
|
| 2.7.7.23 | N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-3-methoxybenzamide |
38% inhibition; 38% inhibition at 0.05 mM |
|
| 2.7.7.23 | N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide |
44% inhibition at 2 mM |
|
| 2.7.7.23 | N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide |
44% inhibition; 44% inhibition at 0.05 mM |
|
| 2.7.7.23 | N-[4-[(6-nitroquinazolin-4-yl)amino]benzene-1-sulfonyl]acetamide |
- |
|
| 2.7.7.23 | N-[4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl]benzamide |
36% inhibition at 2 mM |
|
