Reaction Details  Report a problem with these data
Target
Neuraminidase
Ligand
BDBM50495278
Substrate
n/a
Meas. Tech.
ChEMBL_1284749 (CHEMBL3107558)
IC50
800±n/a nM
Citation
 Yang, Y; He, Y; Li, X; Dinh, H; Iyer, SS Bifunctional thiosialosides inhibit influenza virus. Bioorg Med Chem Lett 24:636-43 (2014) [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:
BDBM50495278
Synonyms:
CHEMBL3104599
Type:
Small organic molecule
Emp. Form.:
C18H34N4O7S2
Mol. Mass.:
482.615
SMILES:
[H][C@]1(OC(C[C@H](NC(N)=N)[C@H]1NC(C)=O)(SCCCCCCS)C(O)=O)[C@H](O)[C@H](O)CO |r|
Structure:
Search PDB for entries with ligand similarity: