Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM50401401
Substrate
n/a
Meas. Tech.
ChEMBL_882387 (CHEMBL2210214)
IC50
0.04±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:
BDBM50401401
Synonyms:
CHEMBL2206459
Type:
Small organic molecule
Emp. Form.:
C14H27N4O5P
Mol. Mass.:
362.3617
SMILES:
[#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]=[#6](-[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)P([#8])([#8])=O |r,c:7|
Structure:
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