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(A) Entrectinib was generated by optimizing the substituent of benzene A in compound 6 and (B) X-ray cocrystal structure of compound 8 in TRKA (PDB ID: 5KVT, 2.5 Å). The kinase is illustrated with green ribbons, and the hydrogen bonds are depicted in black dashed lines. Compound atoms are in different colors: C, orange; N, blue; O, red; F, light cyan.
