Table 3.
The binding energy of the standard and the nine hits to PDE4B and PDE4D.
| Compounds | Binding energy with PDE4B (kcal/mol) |
Binding energy with PDE4D (kcal/mol) |
||||
|---|---|---|---|---|---|---|
| 3O0J | 4KP6 | 3W5E | 3G58 | 6IM6 | 2FM0 | |
| Roilipram | -16.20 | -16.70 | -19.90 | -19.10 | -16.70 | -17.90 |
| HTS04529 | -20.00 | -20.30 | -23.40 | -19.70 | -20.30 | -19.60 |
| HTS05856 | -21.50 | -20.30 | -23.40 | -20.20 | -16.90 | -21.50 |
| RH01894 | -17.70 | -21.30 | -20.20 | -18.20 | 17.50 | -20.20 |
| RJF00096 | -15.30 | -16.00 | -20.70 | -17.20 | -16.70 | -17.10 |
| RJF00433 | -17.50 | -19.50 | -16.50 | -16.50 | -17.10 | -18.00 |
| RH01822 | -16.70 | -19.00 | -19.40 | -17.60 | -18.60 | -19.00 |
| SPB05884 | -15.90 | -17.60 | -18.70 | -17.50 | -17.10 | -17.10 |
| BTB05015 | -17.40 | -18.10 | -19.40 | -17.60 | -16.40 | -18.20 |
| AW00883 | -17.60 | -18.40 | -19.50 | -17.20 | -18.10 | -17.60 |