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Target
Neuraminidase
Ligand
BDBM474367
Substrate
n/a
Meas. Tech.
Influenza Virus Neuraminidase Assay (NA Assay)
EC50
45.0±n/a nM
Citation
 Jain, R; Koester, DC; Manning, JR; Sutton, JC; Taft, BR; Wan, L; Zhao, Q Tricyclic compounds useful to treat orthomyxovirus infections US Patent  US10858366 Publication Date 12/8/2020 
Target
Name:
Neuraminidase
Synonyms:
NA | NRAM_I33A0
Type:
PROTEIN
Mol. Mass.:
49687.56
Organism:
Influenza A virus (strain A/Wilson-Smith/1933 H1N1) (Influenza A virus(strain A/WS/1933 H1N1))
Description:
ChEMBL_881601
Residue:
453
Sequence:
MNPNQKIITIGSICMVVGIISLILQIGNIISIWISHSIQTGNQNHTGICNQGIITYNVVAGQDSTSVILTGNSSLCPIRGWAIHSKDNGIRIGSKGDVFVIREPFISCSHLECRTFFLTQGALLNDKHSNGTVKDRSPYRALMSCPVGEAPSPYNSRFESVAWSASACHDGMGWLTIGISGPDNGAVAVLKYNGIITETIKSWRKKILRTQESECTCVNGSCFTIMTDGPSNGLASYKIFKIEKGKVTKSIELNAPNSHYEECSCYPDTGKVMCVCRDNWHGSNRPWVSFDQNLDYQIGYICSGVFGDNPRPKDGPGSCGPVSADGANGVKGFSYRYGNGVWIGRTKSDSSRHGFEMIWDPNGWTETDSRFSVRQDVVAMTDRSGYSGSFVQHPELTGLDCMRPCFWVELIRGRPEEETIWTSGSIISFCGVNSDTVDWSWPDGAELPFTIDK
  
Inhibitor
Name:
BDBM474367
Synonyms:
(S)-6-((S)-(3-bromophenyl)(4- fluorophenyl)methyl)-11-hydroxy-5,6-dihydro- 10H-imidazo[2',1':3,4]pyrazino[1,2- b]pyridazin-10-one | US10858366, Example 30 | US11453677, Example 30
Type:
Small organic molecule
Emp. Form.:
C22H16BrFN4O2
Mol. Mass.:
467.29
SMILES:
Oc1c2-c3nccn3C[C@H]([C@@H](c3ccc(F)cc3)c3cccc(Br)c3)n2ncc1=O |r|
Structure:
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