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Target
Neuraminidase
Ligand
BDBM50289699
Substrate
n/a
Meas. Tech.
Neuraminidase Inhibition Assay
IC50
1.8±n/a nM
Citation
 Williams, MA; Lew, W; Mendel, DB; Tai, CY; Escarpe, PA; Laver, WG; Stevens, RC; Kim, CU Structure-activity relationships of carbocyclic influenza neuraminidase inhibitors Bioorg Med Chem Lett 7:1837-42 (1997)    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:
BDBM50289699
Synonyms:
(3R,4R,5S)-4-Acetylamino-5-guanidino-3-propoxy-cyclohex-1-enecarboxylic acid; TFA | CHEMBL55921
Type:
Small organic molecule
Emp. Form.:
C13H22N4O4
Mol. Mass.:
298.3382
SMILES:
[#6]-[#6]-[#6]-[#8]-[#6@@H]-1-[#6]=[#6](-[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |c:5|
Structure:
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