3cib

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[[Image:3cib.jpg|left|200px]]
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{{Seed}}
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[[Image:3cib.png|left|200px]]
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{{STRUCTURE_3cib| PDB=3cib | SCENE= }}
{{STRUCTURE_3cib| PDB=3cib | SCENE= }}
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'''Structure of BACE Bound to SCH727596'''
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===Structure of BACE Bound to SCH727596===
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==Overview==
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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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The line below this paragraph, {{ABSTRACT_PUBMED_18468890}}, adds the Publication Abstract to the page
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(as it appears on PubMed at http://www.pubmed.gov), where 18468890 is the PubMed ID number.
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{{ABSTRACT_PUBMED_18468890}}
==About this Structure==
==About this Structure==
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[[Category: Bace1]]
[[Category: Bace1]]
[[Category: Hydrolase]]
[[Category: Hydrolase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jun 11 10:49:26 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 29 13:53:28 2008''

Revision as of 10:53, 29 July 2008

Image:3cib.png

Template:STRUCTURE 3cib

Structure of BACE Bound to SCH727596

Template:ABSTRACT PUBMED 18468890

About this Structure

3CIB is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors., Cumming JN, Le TX, Babu S, Carroll C, Chen X, Favreau L, Gaspari P, Guo T, Hobbs DW, Huang Y, Iserloh U, Kennedy ME, Kuvelkar R, Li G, Lowrie J, McHugh NA, Ozgur L, Pan J, Parker EM, Saionz K, Stamford AW, Strickland C, Tadesse D, Voigt J, Wang L, Wu Y, Zhang L, Zhang Q, Bioorg Med Chem Lett. 2008 Jun 1;18(11):3236-41. Epub 2008 Apr 25. PMID:18468890

Page seeded by OCA on Tue Jul 29 13:53:28 2008

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