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Target
Neuraminidase
Ligand
BDBM50343687
Substrate
n/a
Meas. Tech.
ChEMBL_674284 (CHEMBL1274484)
IC50
4800±n/a nM
Citation
 Mohan, S; McAtamney, S; Haselhorst, T; von Itzstein, M; Pinto, BM Carbocycles related to oseltamivir as influenza virus group-1-specific neuraminidase inhibitors. Binding to N1 enzymes in the context of virus-like particles. J Med Chem 53:7377-91 (2010) [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:
BDBM50343687
Synonyms:
(3S,4R,5R)-4-Acetamido-5-(1-ethylpropoxy)-3-[4-(1-hydroxycyclohexyl)[1,2,3]triazol-1-yl]cyclohex-1-ene-1-carboxylic Acid | (3S,4R,5R)-4-acetamido-3-(4-(1-hydroxycyclohexyl)-1H-1,2,3-triazol-1-yl)-5-(pentan-3-yloxy)cyclohex-1-enecarboxylic acid | CHEMBL1270233
Type:
Small organic molecule
Emp. Form.:
C22H34N4O5
Mol. Mass.:
434.5292
SMILES:
CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)C1(O)CCCCC1)C(O)=O |r,c:8|
Structure:
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