Reaction Details |
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Target | Beta-secretase 1 |
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Ligand | BDBM50317050 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_630324 (CHEMBL1109071) |
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Ki | 1±n/a nM |
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Citation | Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization. Bioorg Med Chem Lett20:2837-42 (2010) [PubMed] Article |
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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 |
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) |
Type: | Protein |
Mol. Mass.: | 55755.10 |
Organism: | Homo sapiens (Human) |
Description: | P56817 |
Residue: | 501 |
Sequence: | MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSF
VEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSST
YRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGIL
GLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGI
DHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKK
VFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRIT
ILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSAC
HVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQW
RCLRCLRQQHDDFADDISLLK
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BDBM50317050 |
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n/a |
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Name | BDBM50317050 |
Synonyms: | 1-N-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-4-[(3-methylbenzene)sulfonyl]piperazin-2-yl]propan-2-yl]-5-(1,1-dioxo-1,2-thiazinan-2-yl)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | CHEMBL1097344 |
Type | Small organic molecule |
Emp. Form. | C40H45F2N5O7S2 |
Mol. Mass. | 809.941 |
SMILES | C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1)N1CCCCS1(=O)=O)c1ccccc1 |r| |
Structure |
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