Table 3. Results of the Linear Interaction Energy Calculations of Protein–Ligand Interactions ΔU (kcal/mol) for Compounds C and D.

		ligand
		neutral		positive		difference
ΔU		C	D	C	D	C	D
pose	C	–5.3	–6.7	–21.2	–22.9	–15.8	–16.2
	D	–3.4	–11.8	–14.2	–27.8	–10.8	–16.0