Table 3.
Four best R428 analogs according to the GOLD and MOE molecular docking scores.
| Compound | PubChem CID | 2D structure | Score (GOLD) | Score, kcal/mol (MOE) |
|---|---|---|---|---|
| R428_1 | 67104315 | ![]() |
88.1 | −8.6 |
| R428_2 | 67104254 | ![]() |
83.6 | −8.5 |
| R428_3 | 67103757 | ![]() |
84.1 | −8.5 |
| R428_4 | 67103760 | ![]() |
82.6 | −8.6 |



