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Target
Neuraminidase
Ligand
BDBM50037546
Substrate
n/a
Meas. Tech.
ChEMBL_1438031 (CHEMBL3387278)
IC50
8.5±n/a nM
Citation
 Hong, BT; Chen, CL; Fang, JM; Tsai, KC; Wang, SY; Huang, WI; Cheng, YS; Wong, CH Oseltamivir hydroxamate and acyl sulfonamide derivatives as influenza neuraminidase inhibitors. Bioorg Med Chem 22:6647-54 (2015) [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:
BDBM50037546
Synonyms:
CHEMBL3357205
Type:
Small organic molecule
Emp. Form.:
C22H33N5O4
Mol. Mass.:
431.5285
SMILES:
CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NOCc1ccccc1 |r,c:7|
Structure:
Search PDB for entries with ligand similarity: