PDB ID: 5YGX
Hetero Atom Contents
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Code | Name | Style | Show | Link | |
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0B5 | ~{N}-[3-[(4~{R},5~{R},6~{S})-2-azanyl-6-[1,1-bis(fluoranyl)ethyl]-5-fluoranyl-4-methyl-5,6-dihydro-1,3-oxazin-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: 5YGX
Structure summary
Code : | 5YGX PDBj RCSB PDB PDBe | ||||||||||||
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Header : | HYDROLASE/INHIBITOR | ||||||||||||
Title : | Structure of BACE1 in complex with N-(3-((4R,5R,6S)-2-amino-6-(1,1-difluoroethyl)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide | ||||||||||||
Release Data : | 2018-08-08 | ||||||||||||
Compound : |
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Authors : | Nakahara, K., Fuchino, K., Komano, K., Asada, N., Tadano, G., Hasegawa, T., Yamamoto, T., Sako, Y., Ogawa, M., Unemura, C., Hosono, M., Sakaguchi, G., Ando, S., Ohnishi, S., Kido, Y., Fukushima, T., Dhuyvetter, D., Borghys, H., Gijsen, H., Yamano, Y., Iso, Y., Kusakabe, K. | ||||||||||||
Keywords : | beta secretase, HYDROLASE-INHIBITOR complex | ||||||||||||
Exp. method : | X-RAY DIFFRACTION ( 2.2000 Å ) | ||||||||||||
Citation : |
Discovery of Potent and Centrally Active 6-Substituted 5-Fluoro-1,3-dihydro-oxazine beta-Secretase (BACE1) Inhibitors via Active Conformation Stabilization
Nakahara, K.,Fuchino, K.,Komano, K.
et al.
PubMed: 29775538 |
Reaction
Chain : | A | ||||||||
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UniProt : | P56817 (BACE1_HUMAN) | ||||||||
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