7D36
Crystal Structure of BACE1 in complex with N-{3-[(3S)-1-amino-5-fluoro-3-methyl-3,4-dihydro-2,6-naphthyridin-3-yl]-4-fluorophenyl}-5-cyano-3-methylpyridine-2-carboxamide
Summary for 7D36
Entry DOI | 10.2210/pdb7d36/pdb |
Descriptor | Beta-secretase 1, IODIDE ION, GLYCEROL, ... (5 entities in total) |
Functional Keywords | bace1, hydrolase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 47609.37 |
Authors | Nakahara, K.,Mitsuoka, Y.,Kasuya, S.,Yamamoto, T.,Yamamoto, S.,Ito, H.,Kido, Y.,Kusakabe, K.I. (deposition date: 2020-09-18, release date: 2021-07-28, Last modification date: 2023-11-29) |
Primary citation | Nakahara, K.,Mitsuoka, Y.,Kasuya, S.,Yamamoto, T.,Yamamoto, S.,Ito, H.,Kido, Y.,Kusakabe, K.I. Balancing potency and basicity by incorporating fluoropyridine moieties: Discovery of a 1-amino-3,4-dihydro-2,6-naphthyridine BACE1 inhibitor that affords robust and sustained central A beta reduction. Eur.J.Med.Chem., 216:113270-113270, 2021 Cited by PubMed: 33765486DOI: 10.1016/j.ejmech.2021.113270 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.3 Å) |
Structure validation
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