Table 3.

The binding energies of docked complexes of ATP and Heterocycles (1 and 2) with FIKK9.1 mutants

Amino acid mutation (FIKK9.1)	Binding Energy (kcal/mol)
	ATP	Compound 1	Compound 2
Native	− 6.21	− 7.84	− 7.55
V244A	− 4.89	− 5.67	− 6.39
M245A	− 5.38	− 5.87	− 5.76
E246A	− 4.36	− 6.02	− 5.92
K320A	− 4.33	− 5.59	− 5.94
N321A	− 5.57	− 5.86	− 6.53
K324A	− 3.27	− 6.07	− 6.1
E366A	− 5.91	− 4.97	− 4.54