Table 3. Summary of the Interaction Energies (kcal/mol) between Compounds and the 5-HT2AR.
| compound | S1593.36 | D1553.32 | V1563.33 | W3366.48 | F3396.51 | F3406.52 |
|---|---|---|---|---|---|---|
| LSD | –3.50 | –18.5 | –13.5 | –2.30 | –10.49 | –6.39 |
| 25CN-NBOH | –9.34 | –18.3 | –10.7 | –7.30 | –8.76 | –7.73 |
| 23H-NBOMe | –11.5 | –19.8 | –11.3 | –9.06 | –9.41 | –8.72 |
| 24H-NBOMe | –9.86 | –19.5 | –11.2 | –8.66 | –9.35 | –8.36 |
| 25H-NBOMe | –9.90 | –19.3 | –11.0 | –8.58 | –9.01 | –7.54 |
| 26H-NBOMe | –9.77 | –20.7 | –12.9 | –8.70 | –9.16 | –7.89 |
| 34H-NBOMe | –8.59 | –20.7 | –10.6 | –8.62 | –9.30 | –8.39 |
| 35H-NBOMe | –8.72 | –20.49 | –10.1 | –8.54 | –10.27 | –7.25 |