Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNeuraminidase A
LigandBDBM4994
Substrate/CompetitorBDBM4702
Meas. Tech.Neuraminidase Inhibition Assay
IC50 1±n/a nM
Citation Kim CULew WWilliams MAWu HZhang LChen XEscarpe PAMendel DBLaver WGStevens RC Structure-activity relationship studies of novel carbocyclic influenza neuraminidase inhibitors. J Med Chem 41:2451-60 (1998) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Neuraminidase A
Name:Neuraminidase
Synonyms:Influenza A Virus Neuraminidase | Neuraminidase
Type:Enzyme
Mol. Mass.:50124.14
Organism:Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(H1N1))
Description:P03468
Residue:454
Sequence:
MNPNQKIITIGSICLVVGLISLILQIGNIISIWISHSIQTGSQNHTGICNQNIITYKNST
WVKDTTSVILTGNSSLCPIRGWAIYSKDNSIRIGSKGDVFVIREPFISCSHLECRTFFLT
QGALLNDKHSNGTVKDRSPYRALMSCPVGEAPSPYNSRFESVAWSASACHDGMGWLTIGI
SGPDNGAVAVLKYNGIITETIKSWRKKILRTQESECACVNGSCFTIMTDGPSDGLASYKI
FKIEKGKVTKSIELNAPNSHYEECSCYPDTGKVMCVCRDNWHGSNRPWVSFDQNLDYQIG
YICSGVFGDNPRPEDGTGSCGPVYVDGANGVKGFSYRYGNGVWIGRTKSHSSRHGFEMIW
DPNGWTETDSKFSVRQDVVAMTDWSGYSGSFVQHPELTGLDCMRPCFWVELIRGRPKEKT
IWTSASSISFCGVNSDTVDWSWPDGAELPFSIDK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM4994
BDBM4702
NameBDBM4994
Synonyms:(3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid | CHEMBL674 | GS4071 | Oseltamivir carboxylate
TypeSmall organic molecule
Emp. Form.C14H24N2O4
Mol. Mass.284.3514
SMILESCCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: