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_882379 (CHEMBL2209784) |
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IC50 | 2.9±n/a nM |
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Citation | Cheng, TJ; Weinheimer, S; Tarbet, EB; Jan, JT; Cheng, YS; Shie, JJ; Chen, CL; Chen, CA; Hsieh, WC; Huang, PW; Lin, WH; Wang, SY; Fang, JM; Hu, OY; Wong, CH Development of oseltamivir phosphonate congeners as anti-influenza agents. J Med Chem55:8657-70 (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_I72A2 |
Type: | PROTEIN |
Mol. Mass.: | 52146.22 |
Organism: | Influenza A virus (strain A/Udorn/307/1972 H3N2) |
Description: | ChEMBL_882379 |
Residue: | 469 |
Sequence: | MNPNQKIITIGSVSLTIATICFLMQIAILVTTVTLHFKQYECDSPANNQVMPCEPIIIER
NITEIVYLTNTTIEKEICPKLVEYRNWSKPQCKITGFAPFSKDNSIRLSAGGDIWVTREP
YVSCDPGKCYQFALGQGTTLDNKHSNDTIHDRTPHRTLLMNELGVPFHLGTRQVCIAWSS
SSCHDGKAWLHVCVTGYDKNATASFIYDGRLVDSIGSWSQNILRTQESECVCINGTCTVV
MTDGSASGRADTKILFIEEGKIVHISPLSGSAQHVEECSCYPRYPGVRCICRDNWKGSNR
PVVDINVKDYSIDSSYVCSGLVGDTPRNNDRSSNSYCRNPNNEKGNHGVKGWAFDDGNDV
WMGRTISEDSRSGYETFKVIGGWSTPNSKLQINRQVIVDSDNRSGYSGIFSVEGKSCINR
CFYVELIRGREQETRVWWTSNSIVVFCGTSGTYGTGSWPDGADINLMPI
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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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