Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM50097655
Substrate
n/a
Meas. Tech.
ChEBML_200639
IC50
0.300000±n/a nM
Citation
 Wyatt, PG; Coomber, BA; Evans, DN; Jack, TI; Fulton, HE; Wonacott, AJ; Colman, P; Varghese, J Sialidase inhibitors related to zanamivir. Further SAR studies of 4-amino-4H-pyran-2-carboxylic acid-6-propylamides. Bioorg Med Chem Lett 11:669-73 (2001) [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:
BDBM50097655
Synonyms:
(4S,5R,6R)-4-Amino-6-dipropylcarbamoyl-5-(2,2,2-trifluoro-acetylamino)-5,6-dihydro-4H-pyran-2-carboxylic acid | CHEMBL350298
Type:
Small organic molecule
Emp. Form.:
C15H22F3N3O5
Mol. Mass.:
381.3475
SMILES:
CCCN(CCC)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(=O)C(F)(F)F)C(O)=O |c:11|
Structure:
Search PDB for entries with ligand similarity: