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.