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. Author manuscript; available in PMC: 2017 Aug 15.
Published in final edited form as: Bioorg Med Chem. 2016 Jun 16;24(16):3849–3855. doi: 10.1016/j.bmc.2016.06.031

Table 2.

Activities and Binding Energies of the validation ligands at the putative site.

Molecule Anti-Tubulin IC50 (μM) Binding Energy in putative site (kcal/mole)
IMDNQ1 6 6.23
IMDNQ2 12 6.21
IMDNQ3 3.2 7.01
IMDNQ10 8 6.74
IMDNQ11 >40 6.01