4L7J

Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE-1)

Summary for 4L7J

• Entry DOI: 10.2210/pdb4l7j/pdb
• Related: 4L7G 4L7H 4LC7
• Descriptor: Beta-secretase 1, 2-[(3aS,7aR)-2-amino-3a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[4,5-c]pyridin-5(4H)-yl]pyridine-3-carbonitrile, ACETATE ION, ... (4 entities in total)
• Functional Keywords: aspartic protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Membrane; Single-pass type I membrane protein: P56817
• Total number of polymer chains: 1
• Total formula weight: 46017.59

Authors

Huestis, M.P.,Liu, W.,Volgraf, M.,Purkey, H.E.,Wang, W.,Yu, C.,Wu, P.,Smith, D.,Vigers, G.,Dutcher, D.,Geck Do, M.K.,Hunt, K.W.,Siu, M. (deposition date: 2013-06-13, release date: 2013-09-18, Last modification date: 2023-09-20)

• Primary citation: Huestis, M.P.,Liu, W.,Volgraf, M.,Purkey, H.,Yu, C.,Wang, W.,Smith, D.,Vigers, G.,Dutcher, D.,Hunt, K.W.,Siu, M.; Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1); Tetrahedron Lett., 2013; DOI: 10.1016/j.tetlet.2013.07.136

Experimental method

X-RAY DIFFRACTION (1.651 Å)