Table 2.

PDB codes, ligand structures, and pharmacological profile of mutated (MUT) estrogen receptor α complexed with antagonists and partial agonists; for the 3-D pharmacophore hypothesis generation, compounds were classified into “actives” (PDB codes marked with a star *) and “inactives” (PDB codes marked with a double star **) using a threshold pIC₅₀ value of 7.30.

PDB	Ligand Structure	pIC50	Ref.	PDB	Ligand Structure	pIC50	Ref.
1L2I * PA a H12: CC b		8.50	[2]	2R6W * SERM H12: OC		8.60	[73]
1UOM * SERM c H12: OC d		7.70	[70]	2R6Y * SERM H12: OC		8.90	[73]
2B1Z ** PA H12: CC		7.10	[71]	2QA8 * PA H12: CC		8.01	[72]
2QA6 ** PA H12: CC		7.30	[72]	5AK2 * SERD e H12: OC		8.40	[74]

^a Partial agonist; ^b H12: closed conformation; ^c SERM—mixed agonist/antagonist; ^d H12: open conformation; ^e SERD—full antagonist.