Table 3:

Top docking ligands for each MPC structural model binding site with Glide docking scores

MPC Model	Conformation	Binding Site	Top binding	Top Glide Score
1.4 relaxed	OF	1	7ACC2	−7.268
			Pioglitazone	−6.667
			Troglitazone	−6.599
		2	UK-5099	−5.218
			7ACC2	−4.964
			Rosiglitazone	−4.504
1.2 unrelaxed	IF	1	Pioglitazone	−0.900
			N/A	N/A
			N/A	N/A
		5	Troglitazone	−8.903
			Troglitazone	−7.886
			Troglitazone	−7.474
1.5 unrelaxed	O	1	N/A	N/A
			N/A	N/A
			N/A	N/A
		3	7ACC2	−4.731
			UK-5099	−4.310
			Troglitazone	−4.112
		4	Troglitazone	−6.737
			UK-5099	−5.514
			Ciglitazone	−5.560
2.3 relaxed	OF	1	Azemiglitazone	−7.986
			UK-5099	−7.840
			Pioglitazone	−7.689
		2	Pioglitazone	−4.708
			Ciglitazone	−4.489
			Rosiglitazone	−4.203