| Compound ID | EDJ-MED-8bb691af-6 |
| ΔG / kcal M-1 | −8.7 ± 0.8 |
| pIC50 | 6.4 ± 0.6 |
| ΔG / kcal M-1 | −9.5 ± 0.1 |
| pIC50 | 6.9 ± 0.1 |
| IC50 / µM | 0.126 ± 0.126 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1498 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-8bb691af-6_1 |
|
−0.4 ± 0.9 |
|
|
|
|||
| RUN1497 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-8bb691af-6_1 |
|
0.8 ± 0.8 |
|
|
|
|||
