Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM50484775
Substrate
n/a
Meas. Tech.
ChEMBL_806216 (CHEMBL1958757)
IC50
2.2±n/a nM
Citation
 Kongkamnerd, J; Cappelletti, L; Prandi, A; Seneci, P; Rungrotmongkol, T; Jongaroonngamsang, N; Rojsitthisak, P; Frecer, V; Milani, A; Cattoli, G; Terregino, C; Capua, I; Beneduce, L; Gallotta, A; Pengo, P; Fassina, G; Miertus, S; De-Eknamkul, W Synthesis and in vitro study of novel neuraminidase inhibitors against avian influenza virus. Bioorg Med Chem 20:2152-7 (2012) [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:
BDBM50484775
Synonyms:
CHEMBL1956713
Type:
Small organic molecule
Emp. Form.:
C14H21KN4O4
Mol. Mass.:
348.4392
SMILES:
[K;v0+].[#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]=[#6](-[#6]-[#6@H](-[#7]=[N+]=[#7-])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8-])=O |r,c:7|
Structure:
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