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Chemotype Evolution to generate phenol hit 5 and indole hit 6. X-ray cocrystal structure of 5 (blue, PDB code: 6P8X) in complex with KRASG12C at 2.1 Å resolution, (a) surface rendering and (b) ribbon rendering. (c–f) X-ray cocrystal structure of 6 (green, PDB code: 6P8Y) in complex with KRASG12C at 2.3 Å resolution: (c, d) surface and ribbon rendering of chain A, respectively and (e, f) surface and ribbon rendering of chain B, respectively.
