Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNeuraminidase
LigandBDBM50496926
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1337292 (CHEMBL3241016)
IC50 43±n/a nM
Citation Mooney, CAJohnson, SA't Hart, PQuarles van Ufford, Lde Haan, CAMoret, EEMartin, NI Oseltamivir analogues bearing N-substituted guanidines as potent neuraminidase inhibitors. J Med Chem57:3154-60 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Neuraminidase
Name:Neuraminidase
Synonyms:NA | NRAM_I33A0
Type:PROTEIN
Mol. Mass.:49687.56
Organism:Influenza A virus
Description:ChEMBL_1347422
Residue:453
Sequence:
MNPNQKIITIGSICMVVGIISLILQIGNIISIWISHSIQTGNQNHTGICNQGIITYNVVA
GQDSTSVILTGNSSLCPIRGWAIHSKDNGIRIGSKGDVFVIREPFISCSHLECRTFFLTQ
GALLNDKHSNGTVKDRSPYRALMSCPVGEAPSPYNSRFESVAWSASACHDGMGWLTIGIS
GPDNGAVAVLKYNGIITETIKSWRKKILRTQESECTCVNGSCFTIMTDGPSNGLASYKIF
KIEKGKVTKSIELNAPNSHYEECSCYPDTGKVMCVCRDNWHGSNRPWVSFDQNLDYQIGY
ICSGVFGDNPRPKDGPGSCGPVSADGANGVKGFSYRYGNGVWIGRTKSDSSRHGFEMIWD
PNGWTETDSRFSVRQDVVAMTDRSGYSGSFVQHPELTGLDCMRPCFWVELIRGRPEEETI
WTSGSIISFCGVNSDTVDWSWPDGAELPFTIDK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50496926
n/a
NameBDBM50496926
Synonyms:CHEMBL3238021
TypeSmall organic molecule
Emp. Form.C17H27F3N4O7
Mol. Mass.456.4141
SMILESOC(=O)C(F)(F)F.CCC(CC)O[C@@H]1C=C(C[C@H](N\C(N)=N\O)[C@H]1NC(C)=O)C(O)=O |r,c:13|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: