PDB ID: 5HDZ
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954 | 5-{(2e,4ar,7ar)-6-[5-fluoro-4-methyl-6-(methylsulfanyl)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-D]pyrimidin-7a-yl}thiophene-2-carbonitrile | PoSSuM |
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Download interaction data: 5HDZ
Structure summary
Code : | 5HDZ PDBj RCSB PDB PDBe | ||||||||||||
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Header : | HYDROLASE/HYDROLASE INHIBITOR | ||||||||||||
Title : | BACE-1 in complex with (7aR)-7a-(5-cyanothiophen-2-yl)-6-(5-fluoro-4-methyl-6-(methylthio)pyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-D]pyrimidin-2-iminium | ||||||||||||
Release Data : | 2016-03-16 | ||||||||||||
Compound : |
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Authors : | Orth, P. | ||||||||||||
Keywords : | ALZHEIMER'S, ASPARTYL PROTEASE, HYDROLASE, HYDROLASE-HYDROLASE INHIBITOR COMPLEX | ||||||||||||
Exp. method : | X-RAY DIFFRACTION ( 1.4900 Å ) | ||||||||||||
Citation : |
Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
Mandal, M.,Wu, Y.,Misiaszek, J.
et al.
PubMed: 26937601 |
Reaction
Chain : | A, B | ||||||||
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UniProt : | P56817 (BACE1_HUMAN) | ||||||||
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