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Target
Neuraminidase
Ligand
BDBM50271298
Substrate
n/a
Meas. Tech.
ChEMBL_1710935 (CHEMBL4120984)
IC50
465±n/a nM
Citation
 McKimm-Breschkin, JL; Barrett, S; Pilling, PA; Hader, S; Watts, AG; Streltsov, VA Structural and Functional Analysis of Anti-Influenza Activity of 4-, 7-, 8- and 9-Deoxygenated 2,3-Difluoro- N-acetylneuraminic Acid Derivatives. J Med Chem 61:1921-1933 (2018) [PubMed]  Article 
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:
BDBM50271298
Synonyms:
CHEMBL4128362
Type:
Small organic molecule
Emp. Form.:
C11H17F2NO8
Mol. Mass.:
329.2514
SMILES:
[H][C@]1(O[C@](F)([C@H](F)[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r|
Structure:
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