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Molecular docking analysis of 5TDOP with proteins for membrane permeable inhibitor.
| Protein (PDB ID) | Bonded residues | Bond distance (Å) | Estimated inhibition constant (μm) | Binding energy (kcal/mol) | Intermolecular energy (kcal/mol) | Reference RMSD (Å) |
|---|---|---|---|---|---|---|
| 4B70 | PHE′108 | 2.4 | 23.78 | -6.31 | -6.71 | 20.571 |
| 4B72 | 2.6 | 14.92 | -6.58 | -7.50 | 22.573 |
