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Target
Neuraminidase
Ligand
BDBM4994
Substrate
n/a
Meas. Tech.
ChEMBL_882387 (CHEMBL2210214)
IC50
0.730000±n/a nM
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 Chem 55:8657-70 (2012) [PubMed]  Article 
Target
Name:
Neuraminidase
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
49068.15
Organism:
Influenza A virus
Description:
ChEMBL_709399
Residue:
449
Sequence:
MNPNKKIITIGSICMVTGMVSLMLQIGNLISIWVSHSIHTGNQHKAEPISNTNFLTEKAVASVKLAGNSSLCPINGWAVYSKDNSIRIGSKGDVFVIREPFISCSHLECRTFFLTQGALLNDKHSNGTVKDRSPHRTLMSCPVGEAPSPYNSRFESVAWSASACHDGTSWLTIGISGPDNGAVAVLKYNGIITDTIKSWRNNILRTQESECACVNGSCFTVMTDGPSNGQASHKIFKMEKGKVVKSVELDAPNYHYEECSCYPDAGEITCVCRDNWHGSNRPWVSFNQNLEYQIGYICSGVFGDNPRPNDGTGSCGPVSSNGAYGVKGFSFKYGNGVWIGRTKSTNSRSGFEMIWDPNGWTETDSSFSVKQDIVAITDWSGYSGSFVQHPELTGLDCIRPCFWVELIRGRPKESTIWTSGSSISFCGVNSDTVGWSWPDGAELPFTIDK
  
Inhibitor
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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