Table 2.

Docking of compounds prepared in Schemes 1 and 2 into the agonist and antagonist conformations of ERα and ERβ

Compound	Docking score for ERα agonist (kcal mol−1)	Docking score for ERα antagonist (kcal mol−1)	Docking score for ERβ agonist (kcal mol−1)	Docking score for ERβ antagonist (kcal mol−1)
E2	−10.36	−9.70	−10.11	−9.29
4	−10.29	−10.38	−10.66	−10.13
2	−9.82	−9.86	−10.40	−9.71
11	−9.80	−9.30	−10.18	−10.28
7	−9.74	−9.37	−10.00	−10.36
10	−8.82	−9.21	−6.41	−10.08
13	−8.73	−8.82	−4.82	−9.92
18	−8.22	−7.66	−7.86	−7.48
17	−7.37	−7.10	−6.97	−6.83
16	−7.27	−6.99	−6.92	−6.96
20	−6.93	−7.20	−7.34	−7.11
15	−6.85	−6.38	−6.56	−6.77
14	−6.41	−6.28	−6.43	−6.60

Compounds identified as having ERα affinity in the fluorescence polarization displacement assay are in bold.