Table 1.
Compound | Binding affinity (kcal/mol) | RMSD/up | RMSD/low |
---|---|---|---|
Tariquidar (control) | − 10.1 | 12.785 | 6.095 |
Zosuquidar (control) | − 9.6 | 8.196 | 3.376 |
Grossamide | − 10.0 | 2.871 | 2.256 |
Cannabisin A | − 10.1 | 1.357 | 0.712 |
Cannabisin B | − 10.1 | 8.769 | 1.275 |
Cannabisin C | − 10.1 | 3.422 | 2.63 |
Cannabisin D | − 10.1 | 2.704 | 2.058 |
Cannabisin E | − 8.9 | 13.803 | 8.097 |
Cannabisin F | − 9.4 | 2.444 | 1.732 |
Cannabisin G | − 9.2 | 1.913 | 1.422 |
Cannabisin M | − 10.2 | 16.497 | 10.559 |
Cannabisin N | − 10.2 | 9.245 | 5.246 |
RMSD root mean-square deviation is the measure of the average distance between the atoms