Reaction Details  Report a problem with these data
Target
Neuraminidase
Ligand
BDBM50495280
Substrate
n/a
Meas. Tech.
ChEMBL_1284877 (CHEMBL3108178)
IC50
200±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:
BDBM50495280
Synonyms:
CHEMBL3104600
Type:
Small organic molecule
Emp. Form.:
C30H54N8O14S2
Mol. Mass.:
814.925
SMILES:
[H][C@]1(OC(C[C@H](NC(N)=N)[C@H]1NC(C)=O)(SCCCCCCSC1(C[C@H](NC(N)=N)[C@@H](NC(C)=O)[C@@]([H])(O1)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO |r|
Structure:
Search PDB for entries with ligand similarity: