Table 2 Binding free energy comparison between the experimental and LIE (Glide/Prime) or LIE (Affinity/SA) values for compounds 1 through 6
From: Binding mode prediction of conformationally restricted anandamide analogs within the CB1 receptor
|  | ΔG bind(kcal/mol) | ||
|---|---|---|---|
Compound | LIE ( Glide/Prime ) | LIE ( Affinity/SA ) | Experimental |
1 | -9.6 | -10.1 | -10.1 |
2 | -9.9 | -9.9 | -9.9 |
3 | -9.8 | -8.7 | -8.9 |
4 | -8.8 | -8.7 | -8.8 |
5 | -7.5 | -8.9 | -8.8 |
6 | -7.9 | -7.3 | -7.2 |