FlexiDock analysis of drug binding to HERG homology models Binding-site normally defined as G648/S649/Y652/F656/S660 and all atoms within 4.5 Å. All side-chain bonds in binding site were allowed to rotate.
| Drug | Channel State | Lowest Energy Score | Number of Runs | Number of Generations |
|---|---|---|---|---|
| Propafenone | Closed | -192 | 33 | 3,940,000 |
| Propafenone | Open | -207 | 27 | 4,210,000 |
| MK-499 | Closed | -137 | 26 | 3,716,000 |
| MK-499 | Open | -198 | 11 | 1,140,000 |