The binding free energies of 17b and PKT against cytochrome P450 (PDB ID: 4D7D).
| Comp. | Binding free energy (kcal mol−1) | No. of hydrogen bonds | No. of electrostatic interaction | No. of hydrophobic interaction |
|---|---|---|---|---|
| 17b | −16.05 | 0 | 0 | 5 |
| PKT | −25.73 | 1 | 1 | 7 |
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