Reaction Details |
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Target | Neuraminidase |
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Ligand | BDBM50526899 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1901693 (CHEMBL4403915) |
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IC50 | 2200±n/a nM |
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Citation | Ju, H; Xiu, S; Ding, X; Shang, M; Jia, R; Huang, B; Zhan, P; Liu, X Discovery of novel 1,2,3-triazole oseltamivir derivatives as potent influenza neuraminidase inhibitors targeting the 430-cavity. Eur J Med Chem187:0 (2020) [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_I71A1 |
Type: | PROTEIN |
Mol. Mass.: | 52105.18 |
Organism: | Influenza A virus (strain A/Memphis/1/1971 H3N2) |
Description: | ChEMBL_578382 |
Residue: | 469 |
Sequence: | MNPNQKIITIGSVSLTIATVCFLMQIAILVTTVTLHFKQYECDSPANNQVMPCEPIIIER
NITEIVYLTNTTIEKEICPKLVEYRNWSKPQCKITGFAPFSKDNSIRLSAGGDIWVTREP
YVSCDPGKCYQFALGQGTTLDNKHSNDTIHDRIPHRTLLMNELGVPFHLGTRQVCIAWSS
SSCHDGKAWLHVCVTGDDKNATASFIYDGRLVDSIGSWSQNILRTQESECVCINGTCTVV
MTDGSASGRADTRILFIEEGKIVHISPLSGSAQHVEECSCYPRYPGVRCICRDNWKGSNR
PVVDINVKDYSIDSRYVCSGLVGDTPRNNDRSSNSNCRNPNNDKGNHGVKGWAFDDGNDV
WMGRTISKDSRSGYETFKVIGGWSTPNSKSQINRQVIVDSDNRSGYSGIFSVEGKSCINR
CFYVELIRGREQETRVWWTSNSIVVFCGTSGTYGTGSWPDGADINLMPI
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BDBM50526899 |
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n/a |
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Name | BDBM50526899 |
Synonyms: | CHEMBL4543946 |
Type | Small organic molecule |
Emp. Form. | C24H33FN6O3 |
Mol. Mass. | 472.5556 |
SMILES | CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2cccc(F)c2)nn1 |r,c:7| |
Structure |
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