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Based on the examination of the crystal structure of rat TRβ complexed with 3,5,3′-triiodo-l-thyronine (2) a novel TRβ-selective indole derivative 6b was prepared and tested in vitro. This compound was found to be 14 times selective for TRβ over TRα in binding and its β-selectivity could be rationalized through the comparison of the X-ray crystallographic structures of 6b complexed with TRα and TRβ.
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