Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM50496023
Substrate
n/a
Meas. Tech.
ChEMBL_1292462 (CHEMBL3124127)
IC50
0.440000±n/a nM
Citation
 Schade, D; Kotthaus, J; Riebling, L; Kotthaus, J; Müller-Fielitz, H; Raasch, W; Koch, O; Seidel, N; Schmidtke, M; Clement, B Development of novel potent orally bioavailable oseltamivir derivatives active against resistant influenza A. J Med Chem 57:759-69 (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:
BDBM50496023
Synonyms:
CHEMBL3120197
Type:
Small organic molecule
Emp. Form.:
C16H27N3O4
Mol. Mass.:
325.4033
SMILES:
CCC(CC)O[C@@H]1C=C(C[C@H](NC(C)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Structure:
Search PDB for entries with ligand similarity: