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. 2014 May 22;16(11):3016–3019. doi: 10.1021/ol501136e

Figure 1.

Figure 1

Computational modeling of 4bca (A) and 4bdh (B) in the TGFβ-R1 kinase (PDB: 3FAA(24)). In both cases, a pyridine moiety hydrogen bonds to the hinge with H283. 4bca creates a contact with the conserved lysine, L232. Both compounds access a lipophilic pocket to the left of L232. The hinge is shown in green, the DFG motif is shown in purple, and the C-Helix is shown in orange. Ligand/receptor interactions are denoted with black dotted lines.