Reaction Details |
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Target | Neuraminidase |
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Ligand | BDBM4951 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_200637 (CHEMBL802971) |
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IC50 | 320±n/a nM |
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Citation | Taylor, NR; Cleasby, A; Singh, O; Skarzynski, T; Wonacott, AJ; Smith, PW; Sollis, SL; Howes, PD; Cherry, PC; Bethell, R; Colman, P; Varghese, J Dihydropyrancarboxamides related to zanamivir: a new series of inhibitors of influenza virus sialidases. 2. Crystallographic and molecular modeling study of complexes of 4-amino-4H-pyran-6-carboxamides and sialidase from influenza virus types A and B. J Med Chem41:798-807 (1998) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Neuraminidase |
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Name: | Neuraminidase |
Synonyms: | Influenza A Virus Neuraminidase | NA | NRAM_I34A1 | Neuraminidase | Neuraminidase A |
Type: | Enzyme |
Mol. Mass.: | 50124.14 |
Organism: | Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(H1N1)) |
Description: | P03468 |
Residue: | 454 |
Sequence: | MNPNQKIITIGSICLVVGLISLILQIGNIISIWISHSIQTGSQNHTGICNQNIITYKNST
WVKDTTSVILTGNSSLCPIRGWAIYSKDNSIRIGSKGDVFVIREPFISCSHLECRTFFLT
QGALLNDKHSNGTVKDRSPYRALMSCPVGEAPSPYNSRFESVAWSASACHDGMGWLTIGI
SGPDNGAVAVLKYNGIITETIKSWRKKILRTQESECACVNGSCFTIMTDGPSDGLASYKI
FKIEKGKVTKSIELNAPNSHYEECSCYPDTGKVMCVCRDNWHGSNRPWVSFDQNLDYQIG
YICSGVFGDNPRPEDGTGSCGPVYVDGANGVKGFSYRYGNGVWIGRTKSHSSRHGFEMIW
DPNGWTETDSKFSVRQDVVAMTDWSGYSGSFVQHPELTGLDCMRPCFWVELIRGRPKEKT
IWTSASSISFCGVNSDTVDWSWPDGAELPFSIDK
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BDBM4951 |
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n/a |
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Name | BDBM4951 |
Synonyms: | (2R,3R,4S)-4-amino-3-acetamido-2-[methyl(2-phenylethyl)carbamoyl]-3,4-dihydro-2H-pyran-6-carboxylic acid | CHEMBL98838 | carboxamide deriv. 4t |
Type | Small organic molecule |
Emp. Form. | C18H23N3O5 |
Mol. Mass. | 361.3923 |
SMILES | [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(C)CCc1ccccc1 |r,c:3| |
Structure |
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