Table 4.
Compounds | Energy Score (S; kcal/mol) | RMSD (Å) |
---|---|---|
28 | −5.7708 | 0.9288 |
29 | −4.847 | 0.5381 |
30 | −6.777 | 0.9806 |
31 | −5.5238 | 1.0294 |
32 | −7.019 | 0.9637 |
34 | 6.5779 | 1.0290 |
6B8Y co-crystallized ligand | −5.102 | 1.1231 |
33 | −7.3066 | 1.6720 |
35 | −5.4909 | 1.2527 |
36 | 2.7322 | 2.2620 |