Cavity 18 + ibuprofen (−7.28 kcal/mol)

TYMS dimer (apo, Phase-6c-hardened receptor). Wheat sticks: cavity-18 residues (FPocket druggability 0.994). Red sticks: residues that are *also* on the published allosteric communication loop 181–197 (Anderson 2012, Pozzi 2019). Click & drag to rotate, scroll to zoom.

Legend: grey cartoon: protein backbone wheat sticks: cavity-18 residues red sticks: allosteric loop 181-197 ∩ cavity 18 cyan: ligand
Toggle: