3I25
Potent Beta-Secretase 1 hydroxyethylene Inhibitor
Summary for 3I25
Entry DOI | 10.2210/pdb3i25/pdb |
Descriptor | Beta-secretase 1, N-[(2S,3S,5R)-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide (3 entities in total) |
Functional Keywords | bace, beta-secretase, inhibitor, aspartyl protease, protease, alternative splicing, disulfide bond, glycoprotein, hydrolase, membrane, polymorphism, transmembrane, zymogen |
Biological source | Homo sapiens (human) |
Cellular location | Membrane; Single-pass type I membrane protein: P56817 |
Total number of polymer chains | 3 |
Total formula weight | 138876.27 |
Authors | Lindberg, J.D.,Borkakoti, N.,Nystrom, S. (deposition date: 2009-06-29, release date: 2010-06-02, Last modification date: 2023-11-01) |
Primary citation | Bjorklund, C.,Adolfsson, H.,Jansson, K.,Lindberg, J.,Vrang, L.,Hallberg, A.,Rosenquist, A.,Samuelsson, B. Discovery of potent BACE-1 inhibitors containing a new hydroxyethylene (HE) scaffold: exploration of P1' alkoxy residues and an aminoethylene (AE) central core Bioorg.Med.Chem., 18:1711-1723, 2010 Cited by PubMed: 20122837DOI: 10.1016/j.bmc.2009.12.051 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.1 Å) |
Structure validation
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