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Chalcones with s-trans conformation are more active. A, X-ray structure of free MIL. B, stereo views of MIL in tubulin with the final refined 2Fo–Fc electron density contoured at 0.5, 1, 1.5, and 2 σ. C, structural formula of free MIL (s-cis) and MIL (s-trans) in tubulin complex. D, chemical structures of MDs and their average IC50s on five cancer cells (A2780S, A2780/T, HCT-8, HCT-8/V, and HCT-8/T; original data shown in Table S1).
