Table 2.

EC₅₀ and MM-GBSA ΔG_Bind of NS309 and CyPPA analog 2 bound to the V481 mutants.

Protein	NS309		CyPPA analog 2
	EC50 (μM)	MM-GBSA ΔGBind (kcal/mol)	EC50 (μM)	MM-GBSA ΔGBind (kcal/mol)
WT	1.1	−49.97	2.5	−64.84
V481A	4.3	−54.28	>250	−29.05
V481S	5.1	−32.65	>250	−49.94
V481T	1.2	−32.77	46.6	−49.97
V481D	7.4	−25.97	>250	−46.75
V481F	0.8	−57.77	3.3	−64.09