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Target
Neuraminidase
Ligand
BDBM50028501
Substrate
n/a
Meas. Tech.
ChEMBL_1437610 (CHEMBL3390212)
IC50
>5000±n/a nM
Citation
 Xie, Y; Xu, D; Huang, B; Ma, X; Qi, W; Shi, F; Liu, X; Zhang, Y; Xu, 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:
BDBM50028501
Synonyms:
CHEMBL3342465
Type:
Small organic molecule
Emp. Form.:
C21H38N4O4
Mol. Mass.:
410.5508
SMILES:
CCC(CC)CN([C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O)C(N)=N |r,c:9|
Structure:
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