| Compound ID | EDJ-MED-159244ea-1 |
| ΔG / kcal M-1 | −8.7 ± 0.3 |
| pIC50 | 6.3 ± 0.2 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1089 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-159244ea-1_1 |
|
0.7 ± 0.3 |
|
|
|
|||
| RUN1088 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-159244ea-1_1 |
|
1.2 ± 0.3 |
|
|
|
|||
