Target
Neuraminidase
Ligand
BDBM50294413
Substrate
n/a
Meas. Tech.
ChEMBL_1731957 (CHEMBL4147493)
IC50
7860±n/a nM
Citation
 Ju, HZhang, JSun, ZHuang, ZQi, WHuang, BZhan, PLiu, X Discovery of C-1 modified oseltamivir derivatives as potent influenza neuraminidase inhibitors. Eur J Med Chem 146:220-231 (2018) [PubMed]  Article 
Target
Name:
Neuraminidase
Synonyms:
NA | NRAM_I33A0
Type:
PROTEIN
Mol. Mass.:
49687.56
Organism:
Influenza A virus
Description:
ChEMBL_1347422
Residue:
453
Sequence:
MNPNQKIITIGSICMVVGIISLILQIGNIISIWISHSIQTGNQNHTGICNQGIITYNVVAGQDSTSVILTGNSSLCPIRGWAIHSKDNGIRIGSKGDVFVIREPFISCSHLECRTFFLTQGALLNDKHSNGTVKDRSPYRALMSCPVGEAPSPYNSRFESVAWSASACHDGMGWLTIGISGPDNGAVAVLKYNGIITETIKSWRKKILRTQESECTCVNGSCFTIMTDGPSNGLASYKIFKIEKGKVTKSIELNAPNSHYEECSCYPDTGKVMCVCRDNWHGSNRPWVSFDQNLDYQIGYICSGVFGDNPRPKDGPGSCGPVSADGANGVKGFSYRYGNGVWIGRTKSDSSRHGFEMIWDPNGWTETDSRFSVRQDVVAMTDRSGYSGSFVQHPELTGLDCMRPCFWVELIRGRPEEETIWTSGSIISFCGVNSDTVDWSWPDGAELPFTIDK
  
Inhibitor
Name:
BDBM50294413
Synonyms:
CHEMBL4169163
Type:
Small organic molecule
Emp. Form.:
C21H30ClN3O3
Mol. Mass.:
407.934
SMILES:
CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cccc(Cl)c1 |r,c:7|
Structure:
Search PDB for entries with ligand similarity: