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Template of the small molecule designed based on the structure shown in Figure 2. An Arg or Lys amino acid residue or surrogates of these amino acids can be used at the N-terminal and a hydrophobic residue can be used at the C-terminal. These can be connected by a conformationally constrained spacer group. Peptides/peptidomimetics or small organic molecules designed based on this template are proposed to fit in the cavity of HER2 domain IV.
