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PDBsum entry 4lrg
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Transcription regulator/inhibitor
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PDB id
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4lrg
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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, Design, And optimization of isoxazole azepine bet inhibitors.
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Authors
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V.S.Gehling,
M.C.Hewitt,
R.G.Vaswani,
Y.Leblanc,
A.Côté,
C.G.Nasveschuk,
A.M.Taylor,
J.C.Harmange,
J.E.Audia,
E.Pardo,
S.Joshi,
P.Sandy,
J.A.Mertz,
R.J.Sims,
L.Bergeron,
B.M.Bryant,
S.Bellon,
F.Poy,
H.Jayaram,
R.Sankaranarayanan,
S.Yellapantula,
N.Bangalore srinivasamurthy,
S.Birudukota,
B.K.Albrecht.
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Ref.
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Acs Med Chem Lett, 2013,
4,
835-840.
[DOI no: ]
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PubMed id
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Abstract
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The identification of a novel series of small molecule BET inhibitors is
described. Using crystallographic binding modes of an amino-isoxazole fragment
and known BET inhibitors, a structure-based drug design effort lead to a novel
isoxazole azepine scaffold. This scaffold showed good potency in biochemical and
cellular assays and oral activity in an in vivo model of BET inhibition.
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