We have developed a series of azadipeptide nitriles with different P3 groups. A triaryl meta-phenyl derivative, compound 13, was not only a potent inhibitor for cathepsin K (Ki = 0.0031 nM), but also highly selective over both cathepsins B and S (![[similar]](http://www.rsc.org/images/entities/char_223c.gif)
1000-fold). A protein–ligand docking study performed on the series provided a possible explanation why compound 13 could be significantly more potent than the others, especially compound 12 in the same series.
Organic & Biomolecular Chemistry
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