Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM50497286
Substrate
n/a
Meas. Tech.
ChEMBL_1433025 (CHEMBL3385173)
IC50
260800±n/a nM
Citation
 El-Deeb, IM; Guillon, P; Winger, M; Eveno, T; Haselhorst, T; Dyason, JC; von Itzstein, M Exploring human parainfluenza virus type-1 hemagglutinin-neuraminidase as a target for inhibitor discovery. J Med Chem 57:7613-23 (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:
BDBM50497286
Synonyms:
CHEMBL3330710
Type:
Small organic molecule
Emp. Form.:
C13H21N2NaO7
Mol. Mass.:
340.3048
SMILES:
[Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#7])-[#6@H]1-[#7]-[#6](=O)-[#6](-[#6])-[#6])-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
Structure:
Search PDB for entries with ligand similarity: