Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM50577102
Substrate
n/a
Meas. Tech.
ChEMBL_2129408 (CHEMBL4838837)
IC50
>10000±n/a nM
Citation
 Zhao, H; Jiang, S; Ye, Z; Zhu, H; Hu, B; Meng, P; Hu, Y; Zhang, H; Wang, K; Wang, J; Tian, Y Discovery of hydrazide-containing oseltamivir analogues as potent inhibitors of influenza A neuraminidase. Eur J Med Chem 221:0 (2021) [PubMed]  Article 
Target
Name:
Neuraminidase
Synonyms:
3.2.1.18 | NA | Neuraminidase
Type:
PROTEIN
Mol. Mass.:
49673.59
Organism:
Influenza A virus (strain A/Wilson-Smith/1933 H1N1) (Influenza A virus(strain A/WS/1933 H1N1))
Description:
ChEMBL_102438
Residue:
453
Sequence:
MNPNQKIITIGSICMVVGIISLILQIGNIISIWISHSIQTGNQNHTGICNQGSITYKVVAGQDSTSVILTGNSSLCPIRGWAIHSKDNGIRIGSKGDVFVIREPFISCSHLECRTFFLTQGALLNDKHSRGTFKDRSPYRALMSCPVGEAPSPYNSRFESVAWSASACHDGMGWLTIGISGPDDGAVAVLKYNGIITETIKSWRKNILRTQESECTCVNGSCFTIMTDGPSDGLASYKIFKIEKGKVTKSIELNAPNSHYEECSCYPDTGKVMCVCRDNWHGSNRPWVSFDQNLDYKIGYICSGVFGDNPRPKDGTGSCGPVSADGANGVKGFSYKYGNGVWIGRTKSDSSRHGFEMIWDPNGWTETDSRFSMRQDVVAMTDRSGYSGSFVQHPELTGLDCMRPCFWVELIRGLPEENAIWTSGSIISFCGVNSDTVDWSWPDGAELPFTIDK
  
Inhibitor
Name:
BDBM50577102
Synonyms:
CHEMBL4853180
Type:
Small organic molecule
Emp. Form.:
C23H42N4O5
Mol. Mass.:
454.6034
SMILES:
CCCCCCCCNNC(=O)N[C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O |r,c:15|
Structure:
Search PDB for entries with ligand similarity: