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Superimposition of ligands after docking over the corresponding crystal structure of CYP3A4.
| PDB ID | RMSD After Superimposition on Crystal Structure (Å) | |||||
|---|---|---|---|---|---|---|
| IFD | Glide XP | |||||
| Max. | Min. | Mean | Max. | Min. | Mean | |
| Ketoconazole | ||||||
| 2V0M | 3.34 | 1.18 | 2.11 | 2.17 | 2.12 | 2.14 |
| Metyrapone | ||||||
| 1W0G | 2.23 | 2.23 | 2.23 | 2.55 | 2.55 | 2.55 |
| Ritonavir | ||||||
| 3NXU | 6.21 | 2.39 | 4.36 | 5.36 | 2.31 | 3.79 |
