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(A) Cocrystal structure of 16 in ALK2 showing three H-bond acceptors for H286, K235, and V214 (PDB 6GIN). (B) Overlay of 16 (brown) with LDN-193189 (green, PDB 3Q4U) showing deeper penetrance of 4-quinoline toward K235 for 16, and slight change in position of the solvent channel group.
