Reaction Details |
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Target | Beta-secretase 2 |
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Ligand | BDBM372817 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2070611 (CHEMBL4726145) |
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IC50 | 31±n/a nM |
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Citation | Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP The development of a structurally distinct series of BACE1 inhibitors via the (Z)-fluoro-olefin amide bioisosteric replacement. Bioorg Med Chem Lett30:0 (2020) [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 |
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) |
Type: | Protein |
Mol. Mass.: | 56171.20 |
Organism: | Homo sapiens (Human) |
Description: | Q9Y5Z0 |
Residue: | 518 |
Sequence: | MGALARALLLPLLAQWLLRAAPELAPAPFTLPLRVAAATNRVVAPTPGPGTPAERHADGL
ALALEPALASPAGAANFLAMVDNLQGDSGRGYYLEMLIGTPPQKLQILVDTGSSNFAVAG
TPHSYIDTYFDTERSSTYRSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNTSFLVNIATI
FESENFFLPGIKWNGILGLAYATLAKPSSSLETFFDSLVTQANIPNVFSMQMCGAGLPVA
GSGTNGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKA
IVDSGTTLLRLPQKVFDAVVEAVARASLIPEFSDGFWTGSQLACWTNSETPWSYFPKISI
YLRDENSSRSFRITILPQLYIQPMMGAGLNYECYRFGISPSTNALVIGATVMEGFYVIFD
RAQKRVGFAASPCAEIAGAAVSEISGPFSTEDVASNCVPAQSLSEPILWIVSYALMSVCG
AILLVLIVLLLLPFRCQRRPRDPEVVNDESSLVRHRWK
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BDBM372817 |
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n/a |
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Name | BDBM372817 |
Synonyms: | 6-((Z)-2-(3-((1R,5S,6S)-3-amino-5-methyl-1-(methylsulfonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile | US10246429, Example 233 |
Type | Small organic molecule |
Emp. Form. | C21H18F2N4O2S2 |
Mol. Mass. | 460.52 |
SMILES | C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)S(C)(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2| |
Structure |
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