2qmd | pdb_00002qmd
Structure of BACE Bound to SCH722924
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| 2qmd, resolution 1.650Å | |||||||||||||
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| Sites: | AC1, AC2, AC3, AC4 and AC5 | ||||||||||||
| Ligands: | CS7 and TAR | ||||||||||||
| Gene: | BACE1, BACE (Homo sapiens) | ||||||||||||
| Activity: | Memapsin 2, with EC number 3.4.23.46 | ||||||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||||||
Overview
Based on lead compound 1 identified from the patent literature, we developed novel patentable BACE-1 inhibitors by introducing a cyclic amine scaffold. Extensive SAR studies on both pyrrolidines and piperidines ultimately led to inhibitor 2f, one of the most potent inhibitors synthesized to date.
About this Structure
2QMD is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Potent pyrrolidine- and piperidine-based BACE-1 inhibitors., Iserloh U, Wu Y, Cumming JN, Pan J, Wang LY, Stamford AW, Kennedy ME, Kuvelkar R, Chen X, Parker EM, Strickland C, Voigt J, Bioorg Med Chem Lett. 2008 Jan 1;18(1):414-7. Epub 2007 Nov 6. PMID:18023580
Page seeded by OCA on Thu Mar 20 18:27:19 2008
