Compound | Docking score a | H-bonding with Glu-116 | H-bonding with Glu-118 | ||
---|---|---|---|---|---|
 |  | Distance (Å) | Energy (Kcal/mol) | Distance (Å) | Energy (Kcal/mol) |
Monastrol | −9.780843 | 2.022 | −0.25495 | 1.800922 | −0.25495 |
3a | −4.623578 | 1.794177 | 0 | 1.91532 | 0 |
3b | −4.099871 | 2.087333 | 0 | 2.437469 | 0 |
3c | −7.66649 | 2.184935 | −0.155458 | 2.543947 | 0 |
3d | −3.518203 | 2.579143 | −0.092150 | 2.579143 | 0 |
3e | −7.396385 | 2.231526 | −0.123687 | 2.472871 | 0 |
3f | −3.336005 | 2.365419 | −0.097571 | 2.477461 | 0 |
3 g | −8.667402 | 2.226021 | −0.076754 | 2.496712 | 0 |
3 h | −7.541568 | 1.947079 | −0.215195 | 2.240761 | 0 |
3i | −6.983773 | 2.04085 | −0.226944 | 2.243988 | 0 |
3j | −7.419477 | 2.224107 | −0.171504 | 2.25015 | 0 |
3 k | −6.988692 | 2.242662 | −0.124171 | 2.197052 | 0 |
3 l | −6.8606 | 2.266054 | −0.068286 | 2.199539 | 0 |