Name of the ligand | DNMT3B (target site PDB ID: 6KDL-A) | HDAC3(target site PDB ID: 4A69-A) | VEGFR-2 (target site PDB ID:3V2A-A) | ||||||
---|---|---|---|---|---|---|---|---|---|
Binding Free Energy (kcal/mol) | pKi | Ligand Efficiency (kcal/mol/non-H atom) | Binding Free Energy (kcal/mol) | pKi | Ligand Efficiency (kcal/mol/non-H atom) | Binding Free Energy (kcal/mol) | pKi | Ligand Efficiency (kcal/mol/non-H atom) | |
Thymoquinone (TQ) | -5.9 | 4.33 | 0.4917 | -5.4 | 3.96 | 0.45 | -5.1 | 3.74 | 0.425 |
Piperine (PIP) | -7.1 | 5.21 | 0.3381 | -6.5 | 4.77 | 0.3095 | -6.4 | 4.69 | 0.3048 |
Sorafenib (SOR) | -8.8 | 6.45 | 0.275 | -7.9 | 5.79 | 0.2469 | -7.4 | 5.43 | 0.2313 |