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PDBsum entry 3h0s
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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 small molecule isozyme non-Specific inhibitors of mammalian acetyl-Coa carboxylase 1 and 2.
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Authors
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J.W.Corbett,
K.D.Freeman-Cook,
R.Elliott,
F.Vajdos,
F.Rajamohan,
D.Kohls,
E.Marr,
H.Zhang,
L.Tong,
M.Tu,
S.Murdande,
S.D.Doran,
J.A.Houser,
W.Song,
C.J.Jones,
S.B.Coffey,
L.Buzon,
M.L.Minich,
K.J.Dirico,
S.Tapley,
R.K.Mcpherson,
E.Sugarman,
H.J.Harwood,
W.Esler.
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Ref.
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Bioorg Med Chem Lett, 2010,
20,
2383-2388.
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PubMed id
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Abstract
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Screening Pfizer's compound library resulted in the identification of weak
acetyl-CoA carboxylase inhibitors, from which were obtained rACC1 CT-domain
co-crystal structures. Utilizing HTS hits and structure-based drug discovery, a
more rigid inhibitor was designed and led to the discovery of sub-micromolar,
spirochromanone non-specific ACC inhibitors. Low nanomolar, non-specific
ACC-isozyme inhibitors that exhibited good rat pharmacokinetics were obtained
from this chemotype.
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