| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-secretase 1 |
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| Ligand | BDBM335458 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | HTRF FRET Assay |
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| Ki | 1.40±n/a nM |
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| Citation |  Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W C2-carbocyclic iminothiazine dioxides as BACE inhibitors, compositions, and their use US Patent US9732088 Publication Date 8/15/2017 |
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| More Info.: | Get all data from this article, Assay Method |
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| Beta-secretase 1 |
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| Name: | Beta-secretase 1 |
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| Synonyms: | ASP2 | Asp 2 | Aspartyl protease 2 | BACE | BACE1 | BACE1_HUMAN | Beta-secretase (BACE) | Beta-secretase 1 | Beta-secretase 1 (BACE 1) | Beta-secretase 1 (BACE-1) | Beta-secretase 1 (BACE1) | Beta-site APP cleaving enzyme 1 | Beta-site amyloid precursor protein cleaving enzyme 1 | KIAA1149 | Memapsin-2 | Membrane-associated aspartic protease 2 | beta-Secretase (BACE-1) | beta-Secretase (BACE1) |
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| Type: | Protein |
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| Mol. Mass.: | 55755.10 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P56817 |
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| Residue: | 501 |
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| Sequence: | MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSF
VEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSST
YRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGIL
GLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGI
DHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKK
VFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRIT
ILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSAC
HVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQW
RCLRCLRQQHDDFADDISLLK
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| BDBM335458 |
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| n/a |
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| Name | BDBM335458 |
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| Synonyms: | 8-((3-((3R,6S)-5-amino-6- cyclopropyl-3,6-dimethyl-1,1- dioxido-3,6-dihydro-2H-l,4- thiazin-3-yl)-4- fluorophenyl)amino)-1,7- naphthyridine-3-carbonitrile | US9732088, Example 17 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H23BrFN5O2S |
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| Mol. Mass. | 532.428 |
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| SMILES | C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(Br)cnc23)ccc1F |r,c:13| |
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| Structure | 
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