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. Author manuscript; available in PMC: 2021 Oct 22.
Published in final edited form as: J Med Chem. 2020 Oct 15;63(20):11522–11547. doi: 10.1021/acs.jmedchem.0c00531

Figure 10.

Figure 10.

Binding modes and molecular docking of compound 21a with FGF14:Nav1.6. The FGF14:Nav1.6 complex homology model was generated by taking advantage of FGF13:Nav1.5 (PDB code: 4DCK) crystal structure as a template. (A) Docking of compound 21a (magenta) into the pocket of FGF14. Important residues of the targeted protein are drawn as sticks. Hydrogen bonds are shown as dashed black lines. (B) Overlay of Nav1.6 with docked compound 21a and FGF14. The C-terminal tail of the Nav1.6 and FGF14 are shown in orange and green, respectively. The key amino acids of FGF14 Lys74, Arg117, Glu152, Val160, Leu202, Pro203 and Pro205 are shown as green sticks. Critical amino acids of the C-terminal tail of Nav1.6 E1884, D1846, T1887, I1886 and R1892 are shown as red sticks.