2qe4
Estrogen receptor alpha ligand-binding domain in complex with a benzopyran agonist
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OverviewOverview
Benzopyrans are selective estrogen receptor (ER) beta agonists (SERBAs), which bind the ER receptor subtypes alpha and beta in opposite, orientations. We have used structure based drug design to show that this, unique phenomena can be exploited via substitution at the 8-position of, the benzopyran A-ring to disrupt binding to ERalpha, thus improving ERbeta, subtype selectivity. X-ray cocrystal structures with ERalpha and ERbeta, are supportive of this approach to improve selectivity in this structural, class.
About this StructureAbout this Structure
2QE4 is a Single protein structure of sequence from Homo sapiens with as ligand. Full crystallographic information is available from OCA.
ReferenceReference
Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 4: Functionalization of the benzopyran A-ring., Norman BH, Richardson TI, Dodge JA, Pfeifer LA, Durst GL, Wang Y, Durbin JD, Krishnan V, Dinn SR, Liu S, Reilly JE, Ryter KT, Bioorg Med Chem Lett. 2007 Jul 13;. PMID:17662603
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