| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-secretase 2 |
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| Ligand | BDBM50570460 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2112332 (CHEMBL4821182) |
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| Ki | 1091±n/a nM |
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| Citation |  Fujimoto, K; Yoshida, S; Tadano, G; Asada, N; Fuchino, K; Suzuki, S; Matsuoka, E; Yamamoto, T; Yamamoto, S; Ando, S; Kanegawa, N; Tonomura, Y; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective ?-Secretase (BACE1) Inhibitors over BACE2. J Med Chem64:3075-3085 (2021) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Beta-secretase 2 |
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| Name: | Beta-secretase 2 |
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| Synonyms: | AEPLC | ALP56 | ASP1 | ASP21 | Asp 1 | Aspartic-like protease 56 kDa | Aspartyl protease 1 | BACE2 | BACE2_HUMAN | Beta secretase 2 | Beta-secretase (BACE) | Beta-secretase 2 | Beta-secretase 2 (BACE-2) | Beta-secretase 2 precursor | Beta-site APP-cleaving enzyme 2 | Down region aspartic protease | Memapsin-1 | Membrane-associated aspartic protease 1 | beta-Secretase (BACE-2) |
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| Type: | Protein |
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| Mol. Mass.: | 56171.20 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q9Y5Z0 |
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| Residue: | 518 |
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| Sequence: | MGALARALLLPLLAQWLLRAAPELAPAPFTLPLRVAAATNRVVAPTPGPGTPAERHADGL
ALALEPALASPAGAANFLAMVDNLQGDSGRGYYLEMLIGTPPQKLQILVDTGSSNFAVAG
TPHSYIDTYFDTERSSTYRSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNTSFLVNIATI
FESENFFLPGIKWNGILGLAYATLAKPSSSLETFFDSLVTQANIPNVFSMQMCGAGLPVA
GSGTNGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKA
IVDSGTTLLRLPQKVFDAVVEAVARASLIPEFSDGFWTGSQLACWTNSETPWSYFPKISI
YLRDENSSRSFRITILPQLYIQPMMGAGLNYECYRFGISPSTNALVIGATVMEGFYVIFD
RAQKRVGFAASPCAEIAGAAVSEISGPFSTEDVASNCVPAQSLSEPILWIVSYALMSVCG
AILLVLIVLLLLPFRCQRRPRDPEVVNDESSLVRHRWK
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| BDBM50570460 |
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| n/a |
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| Name | BDBM50570460 |
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| Synonyms: | CHEMBL4854629 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H19F4N5O3 |
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| Mol. Mass. | 477.4116 |
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| SMILES | CC#C[C@@]1(N=C(N)OCC11CC(F)(F)C1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:4| |
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| Structure | 
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