PDB ID: 5YGY
Hetero Atom Contents
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Code | Name | Style | Show | Link | |
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0B6 | ~{N}-[3-[(4~{S})-2-azanyl-6-(fluoranylmethyl)-4-methyl-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide | PoSSuM | |||
GOL | Glycerol | PoSSuM | |||
IOD | Iodide ion | PoSSuM |
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Download interaction data: 5YGY
Structure summary
Code : | 5YGY PDBj RCSB PDB PDBe | ||||||||||||
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Header : | HYDROLASE/INHIBITOR | ||||||||||||
Title : | Crystal Structure of BACE1 in complex with (S)-N-(3-(2-amino-6-(fluoromethyl)-4 -methyl-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-5-cyanopicolinamide | ||||||||||||
Release Data : | 2018-05-23 | ||||||||||||
Compound : |
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Authors : | Fuchino, K., Mitsuoka, Y., Masui, M., Kurose, N., Yoshida, S., Komano, K., Yamamoto, T., Ogawa, M., Unemura, C., Hosono, M., Ito, H., Sakaguchi, G., Ando, S., Ohnishi, S., Kido, Y., Fukushima, T., Miyajima, H., Hiroyama, S., Koyabu, K., Dhuyvetter, D., Borghys, H., Gijsen, H., Yamano, Y., Iso, Y., Kusakabe, K. | ||||||||||||
Keywords : | beta-site amyloid precursor protein cleaving enzyme 1, HYDROLASE-INHIBITOR complex | ||||||||||||
Exp. method : | X-RAY DIFFRACTION ( 2.3000 Å ) | ||||||||||||
Citation : |
Rational Design of Novel 1,3-Oxazine Based beta-Secretase (BACE1) Inhibitors: Incorporation of a Double Bond To Reduce P-gp Efflux Leading to Robust A beta Reduction in the Brain
Fuchino, K.,Mitsuoka, Y.,Masui, M.
et al.
PubMed: 29733614 |
Reaction
Chain : | A | ||||||||
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UniProt : | P56817 (BACE1_HUMAN) | ||||||||
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