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PDBsum entry 2g20
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References listed in PDB file
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Key reference
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Title
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Ketopiperazine-Based renin inhibitors: optimization of the "c" ring.
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Authors
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D.D.Holsworth,
C.Cai,
X.M.Cheng,
W.L.Cody,
D.M.Downing,
N.Erasga,
C.Lee,
N.A.Powell,
J.J.Edmunds,
M.Stier,
M.Jalaie,
E.Zhang,
P.Mcconnell,
M.J.Ryan,
J.Bryant,
T.Li,
A.Kasani,
E.Hall,
R.Subedi,
M.Rahim,
S.Maiti.
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Ref.
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Bioorg Med Chem Lett, 2006,
16,
2500-2504.
[DOI no: ]
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PubMed id
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Abstract
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A systematic investigation of the S3 sub-pocket activity requirements was
conducted. It was observed that linear and sterically small side chain
substituents are preferred in the S3 sub-pocket for optimal renin inhibition.
Polar groups in the S3-sub-pocket were not well tolerated and caused a reduction
in renin inhibitory activity. Further, compounds with clog P's < or = 3
demonstrated a dramatic reduction in CYP3A4 inhibitory activity.
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