Table 1.
FERMscore assignments as predicted by FERM-SMD, ranked from highest to lowest score, corresponding to highest to lowest predicted binding affinity.
| Compound [a] | FERMscore | Compound | FERMscore |
|---|---|---|---|
| 29 | 13.7 | 26 | 1.20 |
| 18 | 9.25 | 7 | 1.15 |
| 2 | 8.28 | 6 | 1.10 |
| 5 | 4.92 | 23 | 1.03 |
| 4 | 4.45 | 15 | 0.969 |
| 34 | 3.75 | 20 | 0.902 |
| 14 | 3.23 | 33 | 0.792 |
| 13 | 2.99 | 16 | 0.781 |
| 12 | 2.98 | 32 | 0.756 |
| 9 | 2.97 | 28 | 0.756 |
| 8 | 2.33 | 35 | 0.751 |
| 22 | 1.76 | 25 | 0.750 |
| 17 | 1.64 | 3 | 0.732 |
| 21 | 1.44 | 10 | 0.723 |
| 11 | 1.31 | 24 | 0.643 |
| 19 | 1.29 | 31 | 0.534 |
| 30 | 1.28 | 27 | 0.406 |
[a]
Compounds of interest are highlighted accordingly: green = compounds tested with high predicted affinity; cyan = parent scaffold; red = compounds tested with low predicted affinity; yellow = compound synthesis attempted, yet unsuccessful.