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Target
Neuraminidase
Ligand
BDBM50028503
Substrate
n/a
Meas. Tech.
ChEMBL_1437606 (CHEMBL3390208)
IC50
6.9±n/a nM
Citation
 Xie, Y; Xu, D; Huang, B; Ma, X; Qi, W; Shi, F; Liu, X; Zhang, Y; Xu, W Discovery of N-substituted oseltamivir derivatives as potent and selective inhibitors of H5N1 influenza neuraminidase. J Med Chem 57:8445-58 (2014) [PubMed]  Article 
Target
Name:
Neuraminidase
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
49043.64
Organism:
Influenza A virus
Description:
ChEMBL_1438329
Residue:
449
Sequence:
MNPNQKIITIGSICMVIGIVSLMLQIGNMISIWVSHSIQTGNQRQAEPISNTKFLTEKAVASVTLAGNSSLCPISGWAVYSKDNSIRIGSRGDVFVIREPFISCSHLECRTFFLTQGALLNDKHSNGTVKDRSPHRTLMSCPVGEAPSPYNSRFESVAWSASACHDGTSWLTIGISGPDNGAVAVLKYNGIITDTIKSWRNNILRTQESECACVNGSCFTVMTDGPSSGQASYKIFKMEKGKVVKSVELDAPNYHYEECSCYPDAGEITCVCRDNWHGSNRPWVSFNQNLEYQIGYICSGVFGDNPRPNDGTGSCGPVSPNGAYGVKGFSFKYGNGVWIGRTKSTNSRSGFEMIWDPNGWTGTDSSFSVKQDIVAITDWSGYSGSFVQHPELTGLDCIRPCFWVELIRGRPKESTIWTSGSSISFCGVNSDTVSWSWPDGAELPFTIDK
  
Inhibitor
Name:
BDBM50028503
Synonyms:
CHEMBL81717 | Guanidino-Oseltamivir Carboxylicacid
Type:
Small organic molecule
Emp. Form.:
C15H26N4O4
Mol. Mass.:
326.3913
SMILES:
CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Structure:
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