Compound | Energetic parameters (Kcal/mol) | |||||||
---|---|---|---|---|---|---|---|---|
Receptor PDB ID: 3KCX (Breast cancer) | Receptor PDB ID: 1E3G (Prostate cancer) | |||||||
ΔG | LE | VDW_HB/DE | IC (nM) | ΔG | LE | VDW_HB/DE | IC (nM) | |
1 | − 8.49 | − 0.30 | − 8.82 | 766.77 | − 10.08 | − 0.36 | − 10.69 | 40.72 |
2 | − 7.80 | 0.23 | − 8.66 | 4.63 | − 5.88 | − 0.19 | − 7.01 | 49.23 |
3 | − 8.43 | 0.38 | − 9.05 | 666.38 | − 9.61 | − 0.44 | − 10.21 | 90.29 |
4 | − 7.63 | 0.22 | − 8.33 | 2.54 | − 14.63 | 0.43 | 14.07 | No |
Reference Ligand | − 6.60 | − 0.51 | − 6.77 | − 6.60 | − 11.99 | − 0.57 | 12.08 | 1.63 |