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_144590 (CHEMBL882330) |
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IC50 | 2.2±n/a nM |
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Citation | Babu, YS; Chand, P; Bantia, S; Kotian, P; Dehghani, A; El-Kattan, Y; Lin, TH; Hutchison, TL; Elliott, AJ; Parker, CD; Ananth, SL; Horn, LL; Laver, GW; Montgomery, JA BCX-1812 (RWJ-270201): discovery of a novel, highly potent, orally active, and selective influenza neuraminidase inhibitor through structure-based drug design. J Med Chem43:3482-6 (2000) [PubMed] |
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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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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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