4B72
Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain
Summary for 4B72
Entry DOI | 10.2210/pdb4b72/pdb |
Related | 1FKN 1M4H 1PY1 1SGZ 1TQF 1UJJ 1UJK 1W50 1W51 1XN2 1XN3 1XS7 1YM2 1YM4 2B8L 2B8V 2FDP 2VA5 2VA6 2VA7 2VIE 2VIJ 2VIY 2VIZ 2VJ6 2VJ7 2VJ9 2VKM 2VNM 2VNN 2WEZ 2WF0 2WF1 2WF2 2WF3 2WF4 2WJO 2XFI 2XFJ 2XFK 4ACU 4ACX 4AZY 4B00 4B05 4B0Q 4B1C 4B1D 4B1E 4B70 4B77 4B78 |
Descriptor | BETA-SECRETASE 1, (6R)-6-(4-methoxyphenyl)-2-methyl-6-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-d][1,3]thiazol-4-amine (3 entities in total) |
Functional Keywords | hydrolase, hydrolase inhibitor, lead generation, structure-based drug design |
Biological source | HOMO SAPIENS (HUMAN) |
Cellular location | Membrane; Single-pass type I membrane protein: P56817 |
Total number of polymer chains | 1 |
Total formula weight | 43612.20 |
Authors | Gravenfors, Y.,Blid, J.,Ginman, T.,Karlstrom, S.,Kihlstrom, J.,Kolmodin, K.,Lindstrom, J.,Berg, S.,Kieseritzky, F.,Slivo, C.,Swahn, B.,Viklund, J.,Olsson, L.,Johansson, P.,Eketjall, S.,Falting, J.,Jeppsson, F.,Stromberg, K.,Janson, J.,Rahm, F. (deposition date: 2012-08-16, release date: 2013-06-26, Last modification date: 2013-07-03) |
Primary citation | Ginman, T.,Viklund, J.,Malmstrom, J.,Blid, J.,Emond, R.,Forsblom, R.,Johansson, A.,Kers, A.,Lake, F.,Sehgelmeble, F.,Sterky, K.J.,Bergh, M.,Lindgren, A.,Johansson, P.,Jeppsson, F.,Falting, J.,Gravenfors, Y.,Rahm, F. Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56:4181-, 2013 Cited by PubMed: 23126626DOI: 10.1021/JM3011349 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.6 Å) |
Structure validation
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