Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM50478633
Substrate
n/a
Meas. Tech.
ChEMBL_532949 (CHEMBL986926)
IC50
8999119109±n/a nM
Citation
 Lü, WJ; Chen, YL; Ma, WP; Zhang, XY; Luan, F; Liu, MC; Chen, XG; Hu, ZD QSAR study of neuraminidase inhibitors based on heuristic method and radial basis function network. Eur J Med Chem 43:569-76 (2008) [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:
BDBM50478633
Synonyms:
CHEMBL461287
Type:
Small organic molecule
Emp. Form.:
C9H11N3O4S
Mol. Mass.:
257.266
SMILES:
CS(=O)(=O)c1ccc(cc1NC(N)=N)C(O)=O
Structure:
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