Cyclic isoDGR Peptidomimetics as Low-Nanomolar alphavbeta3 Integrin Ligands

A perfect fit: Shown here is the docking best pose of a low-nanomolar ?v?3 integrin ligand cyclo[DKP-isoDGR] (atom color tube representation; see figure) into the receptor binding pocket, overlaid on the bound conformation of Cilengitide (green tube representation). The extended isoDGR conformation permits all the important interactions with the extracellular domain of the ?v?3 integrin. The metal ion in the MIDAS region is represented by a magenta sphere