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(A) X-ray crystal structure of 1 in the active site of BTK enzyme with hydrogen bond interactions to the key residues. (B) The overlay of X-ray crystal structures of 1 (green) and 3 (purple) in the active site of BTK enzyme showing the flexibility of the enzyme for the hydrophobic pocket around the trifluoromethylpyridine with significant movement of F442 and F413.
