Table 1.
Chembridge ID | Structural formula | Autodock 4 (kcal/mol) | Autoock Vina (kcal/mol) | eHiTS (kcal/mol) |
---|---|---|---|---|
41070361 | −9.2 | −8.3 | −5.3 | |
21049419 | −8.9 | −7.0 | −5.6 | |
85971922 | −8.1 | −7.3 | −5.1 | |
54166233 | −7.8 | −7.9 | −6.1 | |
67411088 | −7.5 | −6.9 | −5.1 | |
41055215 | −7.1 | −8.5 | −5.3 | |
25106170 | −7.0 | −6.0 | −5.0 | |
54167736 | −6.7 | −6.7 | −5.1 | |
40201997 | −6.5 | −5.9 | −5.2 | |
42644077 | −6.4 | −7.0 | −5.7 | |
Agonist | −8.6 | −7.4 | −6.5 |