Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM50083329
Substrate
n/a
Meas. Tech.
ChEMBL_144589 (CHEMBL749506)
Ki
10000±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:
BDBM50083329
Synonyms:
CHEMBL147080 | [(2R,3R,4S)-3-Acetylamino-6-dihydroxymethyl-2-((R)-1,2,3-trihydroxy-propyl)-3,4-dihydro-2H-pyran-4-yl]-trimethyl-ammonium
Type:
Small organic molecule
Emp. Form.:
C14H27N2O7
Mol. Mass.:
335.3728
SMILES:
CC(=O)N[C@H]1[C@@H](OC(=C[C@@H]1[N+](C)(C)C)C(O)O)C(O)[C@H](O)CO |c:7|
Structure:
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