Ligand | Mode Number | Affinity (kcal/mol) | MDM2 subpocket binding counts | Dist. from best mode | |
RMSD lb.a | RMSD ub.b | ||||
Compound 1 | 1 | 7.4 | 2 | 0.000 | 0.000 |
Compound 2 | 1 | 7.6 | 3 | 0.000 | 0.000 |
Compound 3 | 1 | 7.7 | 3 | 0.000 | 0.000 |
Compound 4 | 1 | 7.7 | 3 | 0.000 | 0.000 |
Compound 5 | 1 | 6.8 | 2 | 0.000 | 0.000 |
Compound 6 | 1 | 9.1 | 3 | 0.000 | 0.000 |
Compound 7 | 1 | 7.3 | 2 | 0.000 | 0.000 |
Compound 8 | 1 | 7.5 | 3 | 0.000 | 0.000 |
Compound 9 | 1 | 9.8 | 3 | 0.000 | 0.000 |
Nutlin3a | 1 | 8.3 | 3 | 0.000 | 0.000 |