PDB ID: 6JT3
Hetero Atom Contents
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Code | Name | Style | Show | Link | |
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C83 | N-[3-[(4r,5r,6r)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide | PoSSuM | |||
DMS | Dimethyl sulfoxide | PoSSuM | |||
GOL | Glycerol | PoSSuM | |||
IOD | Iodide ion | PoSSuM |
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Download interaction data: 6JT3
Structure summary
Code : | 6JT3 PDBj RCSB PDB PDBe | ||||||||||||
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Header : | HYDROLASE | ||||||||||||
Title : | Crystal Structure of BACE1 in complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide | ||||||||||||
Release Data : | 2019-10-30 | ||||||||||||
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Authors : | Tadano, G., Komano, K., Yoshida, S., Suzuki, S., Nakahara, K., Fuchino, K., Fujimoto, K., Matsuoka, E., Yamamoto, T., Asada, N., Ito, H., Sakaguchi, G., Kanegawa, N., Kido, Y., Ando, S., Fukushima, T., Teisman, A., Urmaliya, V., Dhuyvetter, D., Borghys, H., Bergh, A.V.D., Austin, N., Gijsen, H.J.M., Yamano, Y., Iso, Y., Kusakabe, K.I. | ||||||||||||
Keywords : | GS-hBACE1(43-454), HYDROLASE | ||||||||||||
Exp. method : | X-RAY DIFFRACTION ( 2.4000 Å ) | ||||||||||||
Citation : |
Discovery of an Extremely Potent Thiazine-Based beta-Secretase Inhibitor with Reduced Cardiovascular and Liver Toxicity at a Low Projected Human Dose.
Tadano, G.,Komano, K.,Yoshida, S.
et al.
PubMed: 31549838 |
Reaction
Chain : | A | ||||||||
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UniProt : | P56817 (BACE1_HUMAN) | ||||||||
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