Reaction Details 
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Neuraminidase
Ligand
BDBM139222
Substrate
n/a
Meas. Tech.
Enzyme Assay
Temperature
298.15±n/a K
IC50
4000000±n/a nM
Comments
extracted
Citation
Wulff, JE; Brant, MG; Mason, JW; Bromba, CM; Boulanger, MJ Synthesis of bicyclic compounds and method for their use as therapeutic agents US Patent US8883846 Publication Date 11/11/2014More Info.:
Target
Name:
Neuraminidase
Synonyms:
n/a
Type:
Enzyme
Mol. Mass.:
51689.62
Organism:
Influenza A virus (A/Brisbane/59/2007(H1N1))
Description:
D5F1R0
Residue:
470
Sequence:
MNPNQKIITIGSISIAIGIISLMLQIGNIISIWASHSIQTGSQNNTGICNQRIITYENSTWVNHTYVNINNTNVVAGEDKTSVTLAGNSSLCSISGWAIYTKDNSIRIGSKGDVFVIREPFISCSHLECRTFFLTQGALLNDKHSNGTVKDRSPYRALMSCPLGEAPSPYNSKFESVAWSASACHDGMGWLTIGISGPDNGAVAVLKYNGIITGTIKSWKKQILRTQESECVCMNGSCFTIMTDGPSNKAASYKIFKIEKGKVTKSIELNAPNFHYEECSCYPDTGIVMCVCRDNWHGSNRPWVSFNQNLDYQIGYICSGVFGDNPRPEDGEGSCNPVTVDGANGVKGFSYKYDNGVWIGRTKSNRLRKGFEMIWDPNGWTNTDSDFSVKQDVVAITDWSGYSGSFVQHPELTGLDCIRPCFWVELVRGLPRENTTIWTSGSSISFCGVNSDTANWSWPDGAELPFTIDK
Inhibitor
Name:
BDBM139222
Synonyms:
US8883846, 20 | US8883846, 31
Type:
Small organic molecule
Emp. Form.:
C10H16N2O5S
Mol. Mass.:
276.309
SMILES:
CC(=O)N[C@H]1CS(=O)(=O)[C@@H]2[C@H](C[C@@H](N)[C@H]12)C(O)=O |r|
Structure:
