Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM50083333
Substrate
n/a
Meas. Tech.
ChEMBL_144589 (CHEMBL749506)
Ki
1±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:
BDBM50083333
Synonyms:
CHEMBL348207 | N-[6-Dihydroxymethyl-4-guanidino-2-(1,2,3-trihydroxy-propyl)-3,4-dihyd ro-2H-pyran-3-yl]-acetamide
Type:
Small organic molecule
Emp. Form.:
C12H22N4O7
Mol. Mass.:
334.3257
SMILES:
[#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])-[#8])\[#7]=[#6](\[#7])-[#7] |c:6|
Structure:
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