Table 1 The estimated free energy of the binding of steroids to the KSTD1 active site
Ligand | ΔGbind [kcal/mol] | Std. err. of ΔGbind [kcal/mol] |
|---|---|---|
Androst-4-en-3,17-dione (1) | − 8.02 | 0.13 |
Cholest-4-en-3-one (2) | − 8.40 | 0.19 |
Diosgenone (3) | − 6.17 | 0.15 |
Androstanolone (4) | − 10.97 | 0.15 |
Progesterone (5) | − 8.23 | 0.17 |
Testosterone propionate (6) | − 7.85 | 0.15 |
6-Dehydrotestosterone acetate (7) | − 8.53 | 0.15 |