| Target | No | Binding affinity (kcal·mol−1) | RMSD (Å) |
| JUN (PDBID: 2P33) | 原配体 | −9.8 | 0.4994 |
| MOL000098 | −8.2 | ||
| MOL000006 | −8.3 | ||
| MOL000422 | −7.9 | ||
| RELA (PDBID: 4EPT) | 原配体 | −6.1 | 1.9373 |
| MOL000098 | −7.6 | ||
| MOL000006 | −7.5 | ||
| MOL000422 | −7.6 |