Table 3.

PDB codes, ligand structures, and pharmacological profile of WT and MUT estrogen receptor α complexed (the qualification indicated below the code) with antagonists and partial agonists used as test set (TS_CRY).

PDB	Ligand Structure	pKi	Ref.	PDB	Ligand Structure	pKi	Ref.
3ERT (WT) PA a H12: CC b		9.60	[69]	4MG9 (MUT) PA H12: CC		6.00	[77]
3UU7 (MUT) PA H12: CC		8.79	[75]	4MGA (MUT) PA H12: CC		6.00	[77]
3UUA (MUT) PA H12: CC		8.79	[75]	4MGC (MUT) PA H12: CC		7.00	[77]
3UUC (WT) PA H12: CC		5.70	[75]	4MGD (MUT) PA H12: CC		6.00	[77]
4DMA (WT) PA H12: CC		5.60	[76]	4TUZ (MUT) PA H12: CC		10.00	[78]
4MG6 (MUT) PA H12: CC		6.00	[77]	4ZN9 (MUT) PA H12: CC		9.60	[79]
4MG8 (MUT) PA H12: CC		10.00	[77]

^a Partial agonist; ^b H12: closed conformation.