Target
Neuraminidase
Ligand
BDBM50028516
Substrate
n/a
Meas. Tech.
ChEMBL_1437607 (CHEMBL3390209)
IC50
3.8±n/a nM
Citation
 Xie, YXu, DHuang, BMa, XQi, WShi, FLiu, XZhang, YXu, W Discovery of N-substituted oseltamivir derivatives as potent and selective inhibitors of H5N1 influenza neuraminidase. J Med Chem 57:8445-58 (2014) [PubMed]  Article 
Target
Name:
Neuraminidase
Synonyms:
NA | NRAM_I77AB | Neuraminidase
Type:
PROTEIN
Mol. Mass.:
51863.92
Organism:
Influenza A virus (strain A/USSR/90/1977 H1N1)
Description:
ChEMBL_109720
Residue:
470
Sequence:
MNPNQKIITIGSICMAIGIISLILQIGNIISIWVSHSIQTGSQNHTGICNQRIITYENSTWVNQTYVNISNTNVVAGKDTTSMTLAGNSSLCPIRGWAIYSKDNSIRIGSKGDVFVIREPFISCSHLECRTFFLTQGALLNDKHSNGTVKDRSPYRALMSCPIGEAPSPYNSRFESVAWSASACHDGMGWLTIGISGPDDGAVAVLKYNGIITETIKSWRKQILRTQESECVCVNGSCFTIMTDGPSDGPASYRIFKIEKGKITKSIELDAPNSHYEECSCYPDTGTVMCVCRDNWHGSNRPWVSFNQNLDYQIGYICSGVFGDNPRPKDGKGSCDPVNVDGADGVKGFSYRYGNGVWIGRTKSNSSRKGFEMIWDPNGWTDTDSNFLVKQDVVAMTDWSGYSGSFVQHPELTGLDCMRPCFWVELIRGRPREKTTIWTSGSSISFCGVNSDTVNWSWPDGAELPFTIDK
  
Inhibitor
Name:
BDBM50028516
Synonyms:
CHEMBL3342478
Type:
Small organic molecule
Emp. Form.:
C27H34N2O4
Mol. Mass.:
450.5699
SMILES:
CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Structure:
Search PDB for entries with ligand similarity: