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Target
Neuraminidase
Ligand
BDBM5025
Substrate
n/a
Meas. Tech.
ChEMBL_1335031 (CHEMBL3239462)
IC50
800±n/a nM
Citation
 Abdel-Mageed, WM; Bayoumi, SA; Chen, C; Vavricka, CJ; Li, L; Malik, A; Dai, H; Song, F; Wang, L; Zhang, J; Gao, GF; Lv, Y; Liu, L; Liu, X; Sayed, HM; Zhang, L Benzophenone C-glucosides and gallotannins from mango tree stem bark with broad-spectrum anti-viral activity. Bioorg Med Chem 22:2236-43 (2014) [PubMed]  Article 
Target
Name:
Neuraminidase
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
52019.94
Organism:
Influenza A virus
Description:
ChEMBL_108266
Residue:
469
Sequence:
MNPNQKIITIGSVSLTIATVCFLMQIAILATTVTLHFKQHECDSPASNQVMPCEPIIIERNITEIVYLNNTTIEKEICPKVVEYRNWSKPQCQITGFAPFSKDNSIRLSAGGDIWVTREPYVSCDPGKCYQFALGQGTTLDNKHSNDTVHDRIPHRTLLMNELGVPFHLGTRQVCIAWSSSSCHDGKAWLHVCITGDDKNATASFIYDGRLVDSIGSWSQNILRTQESECVCINGTCTVVMTDGSASGRADTRILFIEEGKIVHISPLSGSAQHIEECSCYPRYPGVRCICRDNWKGSNRPVVDINMEDYSIDSSYVCSGLVGDTPRNDDSSSNSNCRNPNNERGTQGVKGWAFDNGNDLWMGRTISKESRSGYETFKVIGGWSTPNSKSQVNRQVIVDNNNWSGYSGIFSVEGKSCINRCFYVELIRGRPQETRVWWTSNSIVVFCGTSGTYGTGSWPDGANINFMPI
  
Inhibitor
Name:
BDBM5025
Synonyms:
Oseltamivir | US10919856, POSITIVE CONTROL | ethyl (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate
Type:
Small organic molecule
Emp. Form.:
C16H28N2O4
Mol. Mass.:
312.4045
SMILES:
[H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8|
Structure:
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