Table 2. Docking Results for 2-AG and AM8125 on the Crystal Structures of Exogenous AM841 (5xr8) and Endogenous AMG315 (8ghv) Agonists Bound hCB1.
| CB1 receptor cAMP data |
rigid docking score |
ligand energy after fully flexible ligand–receptor pocket refinement starting
from the active state |
||||
|---|---|---|---|---|---|---|
| compd | EC50, nM (95% CI) | Emax (%) (95% CI) | CB1 (5xr8) | CB1 (8ghv) | CB1 (5xr8) | CB1 (8ghv) |
| 2-AG | 25 (20.6–29.4) | 47.7 (40.3–55.1) | –31.1 | –26.7 | –55.9 | –66.2 |
| AM8125 | 17 (14.8–23.1 | 51.2 (48.6–56.3) | –27.0 | –31.1 | –54.5 | –69.3 |