Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNeuraminidase
LigandBDBM4945
Substrate/Competitorn/a
Meas. Tech.ChEMBL_200639 (CHEMBL802973)
IC50 3±n/a nM
Citation Wyatt, PGCoomber, BAEvans, DNJack, TIFulton, HEWonacott, AJColman, PVarghese, J Sialidase inhibitors related to zanamivir. Further SAR studies of 4-amino-4H-pyran-2-carboxylic acid-6-propylamides. Bioorg Med Chem Lett11:669-73 (2001) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Neuraminidase
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:
MNPNQKIITIGSICLVVGLISLILQIGNIISIWISHSIQTGSQNHTGICNQNIITYKNST
WVKDTTSVILTGNSSLCPIRGWAIYSKDNSIRIGSKGDVFVIREPFISCSHLECRTFFLT
QGALLNDKHSNGTVKDRSPYRALMSCPVGEAPSPYNSRFESVAWSASACHDGMGWLTIGI
SGPDNGAVAVLKYNGIITETIKSWRKKILRTQESECACVNGSCFTIMTDGPSDGLASYKI
FKIEKGKVTKSIELNAPNSHYEECSCYPDTGKVMCVCRDNWHGSNRPWVSFDQNLDYQIG
YICSGVFGDNPRPEDGTGSCGPVYVDGANGVKGFSYRYGNGVWIGRTKSHSSRHGFEMIW
DPNGWTETDSKFSVRQDVVAMTDWSGYSGSFVQHPELTGLDCMRPCFWVELIRGRPKEKT
IWTSASSISFCGVNSDTVDWSWPDGAELPFSIDK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM4945
n/a
NameBDBM4945
Synonyms:(2R,3R,4S)-4-amino-3-acetamido-2-[(2-phenylethyl)(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-carboxylic acid | CHEMBL73669 | carboxamide deriv. 4p
TypeSmall organic molecule
Emp. Form.C20H27N3O5
Mol. Mass.389.4455
SMILES[H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccccc1 |r,c:3|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: