Table 3.
The docking results of the tested compounds.
| Cpd. | Binding Energy (kcal/mol) | Inhibit Constant (μM) |
|---|---|---|
| 5a | −6.89 | 8.92 |
| 5b | −6.86 | 9.39 |
| 5h | −7.38 | 3.9 |
| 5i | −7.66 | 2.44 |
| 5j | −7.85 | 1.78 |
| 6h | −7.76 | 2.06 |
| PIA a | −6.96 | 7.97 (9.4) c |
| BEA b | −7.54 | 2.99 (1.7) c |
a The inhibitor co-crystals with Sec14p from S. cerevisiae in the crystal structure of the protein complex (PDB code: 6F0E). b The benzamide compound 2 in the reference. c The value in parenthesis are IC50 for the active compound against Sec14p from S. cerevisiae.