Table 1.
Reported X-ray cocrystal structures of ER-α selective inhibitors.
| PDB Entry | Estrogen Receptor Isoform | Inhibitor | Names of Inhibitors | Resolution (Å) | Reference |
|---|---|---|---|---|---|
| 3DT3 | Estrogen Receptor-α |
|
5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-7-methylnaphthalen-2-ol | 2.40 | [29] |
| 2R6Y | Estrogen Receptor-α |
|
(6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl)(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)methanone | 2.00 | [30] |
| 2IOG | Estrogen Receptor-α |
|
(R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-6-(2-(piperidin-1-yl)ethoxy)-1H-indol-3-yl)acetamide | 1.60 | [31] |
| 2IOK | Estrogen Receptor-α |
|
(R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-1H-indol-3-yl)acetamide | 2.40 | [31] |
| 2POG | Estrogen Receptor-α |
|
(3aS,4R,9bR)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-9-ol | 1.84 | [32] |
| 2Q70 | Estrogen Receptor-α |
|
(3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol | 1.95 | [33] |
| 2OUZ | Estrogen Receptor-α |
|
(5R,6S)-6-phenyl-5-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-5,6,7,8-tetrahydronaphthalen-2-ol | 2.00 | [34] |
| 2AYR | Estrogen Receptor-α |
|
6-(4-(methylsulfonyl)phenyl)-5-(4-(2-(piperidin-1-yl)ethoxy)phenoxy)naphthalen-2-ol | 1.90 | [35] |
| 1XQC | Estrogen Receptor-α |
|
(S)-1-(4-((R)-octahydro-2H-pyrido[1,2-a]pyrazin-2-yl)phenyl)-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-ol | 2.05 | [36] |
| 1XP6 | Estrogen Receptor-α |
|
(2S,3R)-2-(4-(2-((3S,4S)-3,4-dimethylpyrrolidin-1-yl)ethoxy)phenyl)-3-(4-hydroxyphenyl)-2,3-dihydrobenzo[b][1,4]oxathiin-6-ol | 1.70 | [37] |
| 1XPC | Estrogen Receptor-α |
|
(2S,3R)-3-(4-hydroxyphenyl)-2-(4-((R)-2-(pyrrolidin-1-yl)propoxy)phenyl)-2,3-dihydrobenzo[b][1,4]oxathiin-6-ol | 1.60 | [37] |
| 1R5K | Estrogen Receptor-α |
|
(E)-3-(4-((E)-1,2-diphenylbut-1-en-1-yl)phenyl)acrylic acid | 2.70 | [38] |
| 1SJ0 | Estrogen Receptor-α |
|
(2S,3R)-3-(4-hydroxyphenyl)-2-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-2,3-dihydrobenzo[b][1,4]oxathiin-6-ol | 1.90 | [39] |
| 1PCG | Estrogen Receptor-α |
|
(8R,9S,13S,14S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol | 2.70 | [40] |
| 1UOM | Estrogen Receptor-α |
|
2-phenyl-1-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol | 2.28 | [41] |
| 1GWQ | Estrogen Receptor-α |
|
2-(4-hydroxyphenyl)benzo[b]thiophen-6-ol | 2.45 | [42] |
| 1GWR | Estrogen Receptor-α |
|
(8R,9S,13S,14S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol | 2.40 | [42] |
| 1QKU | Estrogen Receptor-α |
|
(8R,9S,13S,14S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol | 3.20 | [43] |
| 3ERD | Estrogen Receptor-α |
|
(E)-4,4′-(hex-3-ene-3,4-diyl)diphenol | 2.03 | [44] |
| 3ERT | Estrogen Receptor-α |
|
(E)-4-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenylbut-1-en-1-yl)phenol | 1.90 | [44] |
| 1A52 | Estrogen Receptor-α |
|
(8R,9S,13S,14S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol | 2.80 | [45] |
| 1ERE | Estrogen Receptor-α |
|
(8R,9S,13S,14S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol | 3.10 | [46] |
| 1ERR | Estrogen Receptor-α |
|
(6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl)(4-(2-(piperidin-1-yl)ethoxy)phenyl)methanone | 2.60 | [46] |