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PDBsum entry 5ivt
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Hydrolase/inhibitor
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PDB id
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5ivt
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References listed in PDB file
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Key reference
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Title
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Discovery of mk-8718, An HIV protease inhibitor containing a novel morpholine aspartate binding group.
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Authors
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C.J.Bungard,
P.D.Williams,
J.E.Ballard,
D.J.Bennett,
C.Beaulieu,
C.Bahnck-Teets,
S.S.Carroll,
R.K.Chang,
D.C.Dubost,
J.F.Fay,
T.L.Diamond,
T.J.Greshock,
L.Hao,
M.K.Holloway,
P.J.Felock,
J.J.Gesell,
H.P.Su,
J.J.Manikowski,
D.J.Mckay,
M.Miller,
X.Min,
C.Molinaro,
O.M.Moradei,
P.G.Nantermet,
C.Nadeau,
R.I.Sanchez,
T.Satyanarayana,
W.D.Shipe,
S.K.Singh,
V.L.Truong,
S.Vijayasaradhi,
C.M.Wiscount,
J.P.Vacca,
S.N.Crane,
J.A.Mccauley.
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Ref.
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Acs Med Chem Lett, 2016,
7,
702-707.
[DOI no: ]
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PubMed id
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Abstract
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A novel HIV protease inhibitor was designed using a morpholine core as the
aspartate binding group. Analysis of the crystal structure of the initial lead
bound to HIV protease enabled optimization of enzyme potency and antiviral
activity. This afforded a series of potent orally bioavailable inhibitors of
which MK-8718 was identified as a compound with a favorable overall profile.
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