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PDBsum entry 3cib
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References listed in PDB file
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Key reference
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Title
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Rational design of novel, Potent piperazinone and imidazolidinone bace1 inhibitors.
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Authors
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J.N.Cumming,
T.X.Le,
S.Babu,
C.Carroll,
X.Chen,
L.Favreau,
P.Gaspari,
T.Guo,
D.W.Hobbs,
Y.Huang,
U.Iserloh,
M.E.Kennedy,
R.Kuvelkar,
G.Li,
J.Lowrie,
N.A.Mchugh,
L.Ozgur,
J.Pan,
E.M.Parker,
K.Saionz,
A.W.Stamford,
C.Strickland,
D.Tadesse,
J.Voigt,
L.Wang,
Y.Wu,
L.Zhang,
Q.Zhang.
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Ref.
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Bioorg Med Chem Lett, 2008,
18,
3236-3241.
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PubMed id
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Abstract
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Guided by structure-based design, we synthesized two novel series of potent
inhibitors of BACE1 and generated extensive SAR around both the prime and
non-prime side binding pockets. The key feature of both series is a cyclic amine
motif specifically crafted to achieve interactions with both the flap and with
the S2' pocket.
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