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Target
Neuraminidase
Ligand
BDBM50482096
Substrate
n/a
Meas. Tech.
ChEMBL_632580 (CHEMBL1114806)
IC50
22200±n/a nM
Citation
 Mercader, AG; Pomilio, AB QSAR study of flavonoids and biflavonoids as influenza H1N1 virus neuraminidase inhibitors. Eur J Med Chem 45:1724-30 (2010) [PubMed]  Article 
Target
Name:
Neuraminidase
Synonyms:
Influenza A Virus Neuraminidase | NA | NRAM_I34A1 | Neuraminidase | Neuraminidase A
Type:
Enzyme
Mol. Mass.:
50124.14
Organism:
Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(H1N1))
Description:
P03468
Residue:
454
Sequence:
MNPNQKIITIGSICLVVGLISLILQIGNIISIWISHSIQTGSQNHTGICNQNIITYKNSTWVKDTTSVILTGNSSLCPIRGWAIYSKDNSIRIGSKGDVFVIREPFISCSHLECRTFFLTQGALLNDKHSNGTVKDRSPYRALMSCPVGEAPSPYNSRFESVAWSASACHDGMGWLTIGISGPDNGAVAVLKYNGIITETIKSWRKKILRTQESECACVNGSCFTIMTDGPSDGLASYKIFKIEKGKVTKSIELNAPNSHYEECSCYPDTGKVMCVCRDNWHGSNRPWVSFDQNLDYQIGYICSGVFGDNPRPEDGTGSCGPVYVDGANGVKGFSYRYGNGVWIGRTKSHSSRHGFEMIWDPNGWTETDSKFSVRQDVVAMTDWSGYSGSFVQHPELTGLDCMRPCFWVELIRGRPKEKTIWTSASSISFCGVNSDTVDWSWPDGAELPFSIDK
  
Inhibitor
Name:
BDBM50482096
Synonyms:
CHEMBL1095055 | Hinokiflavone-Sialic Acid
Type:
Small organic molecule
Emp. Form.:
C43H39NO18
Mol. Mass.:
857.7657
SMILES:
[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(Oc1cc2oc(cc(=O)c2c(O)c1Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)cc2o1)-c1ccc(OC)cc1)C(O)=O)[C@@H](O)[C@@H](O)CO |r|
Structure:
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