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(a) Structures of 1 (IRL 2500), 2 (IRL 1), and secondary amide 3; (b) IRL 2500 1 (tan) bound in the β cleft of Hb (PDB ID 4L7Y). β chains teal and blue, α chains are shown as red and yellow. (c) Interactions between IRL 2500 1 and Hb at the β cleft with distances to important protein residues highlighted (see Supporting Information and Figure S1 for detailed description of the cobinding of IRL 2500 and DPG).
