3L3A

Bace-1 with the aminopyridine Compound 32

Summary for 3L3A

Entry DOI	10.2210/pdb3l3a/pdb
Related	3L38
Descriptor	Beta-secretase 1, 4-(4-{1-[(6-aminopyridin-2-yl)methyl]-5-(2-chlorophenyl)-1H-pyrrol-2-yl}phenoxy)butanenitrile (3 entities in total)
Functional Keywords	beta-secretase, bace-1, inhibitor, aminopyridine, aspartyl protease, disulfide bond, protease, transmembrane, hydrolase
Biological source	Homo sapiens (human)
Cellular location	Membrane; Single-pass type I membrane protein: P56817
Total number of polymer chains	1
Total formula weight	46883.92
Authors	Olland, A.M.,Chopra, R. (deposition date: 2009-12-16, release date: 2010-04-28, Last modification date: 2011-07-13)
Primary citation	Malamas, M.S.,Barnes, K.,Hui, Y.,Johnson, M.,Lovering, F.,Condon, J.,Fobare, W.,Solvibile, W.,Turner, J.,Hu, Y.,Manas, E.S.,Fan, K.,Olland, A.,Chopra, R.,Bard, J.,Pangalos, M.N.,Reinhart, P.,Robichaud, A.J. Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors. Bioorg.Med.Chem.Lett., 20:2068-2073, 2010 Cited by PubMed: 20223661 DOI: 10.1016/j.bmcl.2010.02.075 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.362 Å)

Structure validation