Table 4. Summary of the Interaction Energies (kcal/mol) Involved in the Proposed Interaction between the Methoxy Groups on the Phenyl Ring and Nearby Amino Acid Residues on the 5-HT2AR.
| compound | T1603.37 | G2385.42 | S2425.46 | S2395.43 | V2355.39 | N3436.55 | L229ECL2 |
|---|---|---|---|---|---|---|---|
| LSD | –1.25 | –1.54 | –6.46 | –4.01 | –2.28 | –5.02 | –9.91 |
| 25CN-NBOH | –2.38 | –3.07 | –1.90 | –2.13 | –0.68 | –1.69 | –2.98 |
| 23H-NBOMe | –2.77 | –2.04 | –4.86 | –1.29 | –0.57 | –0.99 | –0.56 |
| 24H-NBOMe | –2.14 | –1.07 | –1.74 | –2.18 | –3.38 | –2.25 | –1.13 |
| 25H-NBOMe | –2.43 | –0.82 | –1.81 | –0.59 | –0.93 | –1.61 | –2.25 |
| 26H-NBOMe | –2.51 | –0.93 | –1.70 | –0.60 | –0.58 | –0.73 | –1.76 |
| 34H-NBOMe | –0.47 | –2.69 | –3.23 | –2.29 | –3.35 | –0.95 | –1.09 |
| 35H-NBOMe | –0.21 | –2.26 | –2.57 | –1.46 | –1.60 | –3.18 | –2.46 |