Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM50083322
Substrate
n/a
Meas. Tech.
ChEMBL_144589 (CHEMBL749506)
Ki
0.39±n/a nM
Citation
 Wall, ID; Leach, AR; Salt, DW; Ford, MG; Essex, JW Binding constants of neuraminidase inhibitors: An investigation of the linear interaction energy method. J Med Chem 42:5142-52 (2000) [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:
BDBM50083322
Synonyms:
3-Acetylamino-2-diethylcarbamoyl-6-dihydroxymethyl-3,4-dihydro-2H-pyran-4-yl-ammonium
Type:
Small organic molecule
Emp. Form.:
C13H24N3O5
Mol. Mass.:
302.3462
SMILES:
CCN(CC)C(=O)[C@@H]1OC(=C[C@H]([NH3+])[C@H]1NC(C)=O)C(O)O |c:9|
Structure:
Search PDB for entries with ligand similarity: