. 2018 Nov 20;9(12):2028–2036. doi: 10.1039/c8md00497h

Table 1. Chemical structures of compounds 1–8, with related Glide XP Score, best shape similarity value (related to LVJ reference crystallized conformation), mPGES-1 and 5-LO residual activities tested at 10 μM ligand concentration, and mPGES-1 IC₅₀ values.

ID	Chemical structure	Glide XP score	LVJ shape similarity	mPGES-1 (residual activity at 10 μM)	mPGES-1 IC₅₀ (μM)	5-LO (residual activity at 10 μM)
1		–7.462	0.506	80.1 ± 3.9	—	—
2		–6.494	0.585	30. 5 ± 3.4	3.7 ± 2.7	92.5 ± 10.0
3		–6.406	0.538	25.0 ± 6.5	1.9 ± 1.5	56.6 ± 8.5
4		–6.323	0.657	86.8 ± 4.2	—	—
5		–6.284	0.660	72.1 ± 4.1	—	—
6		–6.241	0.517	88.6 ± 3.7	—	—
7		–6.193	0.515	82.6 ± 2.4	—	—
8		–6.155	0.507	65.3 ± 11.1	—	—

Table 1. Chemical structures of compounds 1–8, with related Glide XP Score, best shape similarity value (related to LVJ reference crystallized conformation), mPGES-1 and 5-LO residual activities tested at 10 μM ligand concentration, and mPGES-1 IC50 values.