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Target
Neuraminidase
Ligand
BDBM50577107
Substrate
n/a
Meas. Tech.
ChEMBL_2129408 (CHEMBL4838837)
IC50
586±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:
BDBM50577107
Synonyms:
CHEMBL4876589
Type:
Small organic molecule
Emp. Form.:
C22H31ClN4O5
Mol. Mass.:
466.958
SMILES:
CCC(CC)O[C@@H]1C=C(C[C@H](NC(=O)NNCc2ccccc2Cl)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Structure:
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