Table 3.

Decomposition of ΔG_bind^GBSA (kcal/mol) on a per-residue basis for the interaction of compounds 2, 3, and 4 with mPGES-1 (see Sup. Inf. for the detailed results). The key residues are displayed in bold.

	(2)	(3)	(4)
R110	−5.09	−2.12	−2.49
T129	−2.07	−0.73	−1.26
R126	−0.87	−0.85	−1.19
I125	−1.07	−1.05	−0.90
Y117	0.01	−0.27	−0.01
H72′	−0.97	−0.23	0.02
L69′	−0.97	−1.66	−0.65
M76′	−0.91	−0.87	−0.68
Y80′	−0.56	−0.51	1.05
R73′	−2.12	−1.35	−0.92
R73″	−0.12	−0.02	0.01
R73	−4.51	−2.61	−2.93
E77	4.88	0.98	3.75