Fragment based drug design
Fragment based drug design
Fragment based drug design
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S4-pocket<br />
MeO<br />
IC 50 = 3.4 nM<br />
IC 50 = 330 μM<br />
HN<br />
HO<br />
NN<br />
NN<br />
NN<br />
NN<br />
O<br />
S<br />
IC 50 = 300 μM<br />
O<br />
NH<br />
Cl Cl<br />
S1-pocket<br />
<strong>Fragment</strong> Linking<br />
S2-pocket<br />
theoretical values<br />
K d (additive) 100 nM<br />
K d (superadditive) 0.1 nM
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