Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM50529794
Substrate
n/a
Meas. Tech.
ChEMBL_1910088 (CHEMBL4412534)
IC50
2.2±n/a nM
Citation
 Hong, BT; Cheng, YE; Cheng, TJ; Fang, JM Boronate, trifluoroborate, sulfone, sulfinate and sulfonate congeners of oseltamivir carboxylic acid: Synthesis and anti-influenza activity. Eur J Med Chem 163:710-721 (2019) [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:
BDBM50529794
Synonyms:
CHEMBL4547504
Type:
Small organic molecule
Emp. Form.:
C14H26N4O4S
Mol. Mass.:
346.446
SMILES:
CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)[S+](O)[O-] |r,c:7|
Structure:
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