Table 3.
Binding energy results in kcal/mol for the tested hybrids versus the co-crystallised ligands.
| Compound | DprE1 (pdb: 4KW5) Energy score (kcal/mol) |
TMPKmt (pdb: 1W2H) Energy score (kcal/mol) |
|---|---|---|
| 5c | −21.5 | −19.7 |
| 15 | −19.8 | −18.4 |
| The co-crystallised ligand | −20.3 | −17.9 |