Here we explore the de novo design of rhodium intercalators for predictive four base pair recognition of duplex DNA. Complexes have been constructed which, like DNA-binding proteins, pose several functionalities for site-specific noncovalent interaction with DNA. Octahedral rhodium intercalators are particularly useful in this design since (i) the octahedral coordination specifies the stereochemistry of ligand functionalities and (ii) the intercalating ligands orients these functionalities with respect to the DNA major groove
