Predicted binding energies of 7BQ to the CYP3A4 crystal structures (PDB codes 1tqn and 1w0e)
Energies (kilojoules per mole) obtained from docking calculations using GOLD version 3.00.1.
Site | 1tqn | 1w0e |
|---|---|---|
| A | -29.7 | -31.9 |
| B | -32.5 | -33.7 |
| C | -30.4 | -38.6 |
| D | -31.6 | -28.2 |
| E | -23.1 | -25.8 |