Reaction Details |
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Target | Neuraminidase |
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Ligand | BDBM4994 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_806218 (CHEMBL1958759) |
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IC50 | 53±n/a nM |
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Citation | Kongkamnerd, J; Cappelletti, L; Prandi, A; Seneci, P; Rungrotmongkol, T; Jongaroonngamsang, N; Rojsitthisak, P; Frecer, V; Milani, A; Cattoli, G; Terregino, C; Capua, I; Beneduce, L; Gallotta, A; Pengo, P; Fassina, G; Miertus, S; De-Eknamkul, W Synthesis and in vitro study of novel neuraminidase inhibitors against avian influenza virus. Bioorg Med Chem20:2152-7 (2012) [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: | NA | NRAM_I33A0 |
Type: | PROTEIN |
Mol. Mass.: | 49687.56 |
Organism: | Influenza A virus |
Description: | ChEMBL_1347422 |
Residue: | 453 |
Sequence: | MNPNQKIITIGSICMVVGIISLILQIGNIISIWISHSIQTGNQNHTGICNQGIITYNVVA
GQDSTSVILTGNSSLCPIRGWAIHSKDNGIRIGSKGDVFVIREPFISCSHLECRTFFLTQ
GALLNDKHSNGTVKDRSPYRALMSCPVGEAPSPYNSRFESVAWSASACHDGMGWLTIGIS
GPDNGAVAVLKYNGIITETIKSWRKKILRTQESECTCVNGSCFTIMTDGPSNGLASYKIF
KIEKGKVTKSIELNAPNSHYEECSCYPDTGKVMCVCRDNWHGSNRPWVSFDQNLDYQIGY
ICSGVFGDNPRPKDGPGSCGPVSADGANGVKGFSYRYGNGVWIGRTKSDSSRHGFEMIWD
PNGWTETDSRFSVRQDVVAMTDRSGYSGSFVQHPELTGLDCMRPCFWVELIRGRPEEETI
WTSGSIISFCGVNSDTVDWSWPDGAELPFTIDK
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BDBM4994 |
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n/a |
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Name | BDBM4994 |
Synonyms: | (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid | CHEMBL674 | GS4071 | Oseltamivir carboxylate |
Type | Small organic molecule |
Emp. Form. | C14H24N2O4 |
Mol. Mass. | 284.3514 |
SMILES | CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| |
Structure |
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