3cic: Difference between revisions
New page: '''Unreleased structure''' The entry 3cic is ON HOLD Authors: Strickland, C., Cumming, J. Description: Structure of BACE Bound to SCH709583 ''Page seeded by [http://oca.weizmann.ac.i... |
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[[Image:3cic.jpg|left|200px]] | |||
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{{STRUCTURE_3cic| PDB=3cic | SCENE= }} | |||
'''Structure of BACE Bound to SCH709583''' | |||
==Overview== | |||
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. | |||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jun 11 | ==About this Structure== | ||
3CIC is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3CIC 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:[http://www.ncbi.nlm.nih.gov/pubmed/18468890 18468890] | |||
[[Category: Homo sapiens]] | |||
[[Category: Memapsin 2]] | |||
[[Category: Single protein]] | |||
[[Category: Cumming, J.]] | |||
[[Category: Strickland, C.]] | |||
[[Category: Aspartyl protease]] | |||
[[Category: Bace1]] | |||
[[Category: Hydrolase]] | |||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jun 11 10:49:32 2008'' | |||