Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM50451266
Substrate
n/a
Meas. Tech.
ChEMBL_1744757 (CHEMBL4179267)
Ki
1590±n/a nM
Citation
 Enkhtaivan, G; Muthuraman, P; Kim, DH; Mistry, B Discovery of berberine based derivatives as anti-influenza agent through blocking of neuraminidase. Bioorg Med Chem 25:5185-5193 (2017) [PubMed]  Article 
Target
Name:
Neuraminidase
Synonyms:
Influenza A Virus Neuraminidase | NA | NRAM_I34A1 | Neuraminidase | Neuraminidase A
Type:
Enzyme
Mol. Mass.:
50124.14
Organism:
Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(H1N1))
Description:
P03468
Residue:
454
Sequence:
MNPNQKIITIGSICLVVGLISLILQIGNIISIWISHSIQTGSQNHTGICNQNIITYKNSTWVKDTTSVILTGNSSLCPIRGWAIYSKDNSIRIGSKGDVFVIREPFISCSHLECRTFFLTQGALLNDKHSNGTVKDRSPYRALMSCPVGEAPSPYNSRFESVAWSASACHDGMGWLTIGISGPDNGAVAVLKYNGIITETIKSWRKKILRTQESECACVNGSCFTIMTDGPSDGLASYKIFKIEKGKVTKSIELNAPNSHYEECSCYPDTGKVMCVCRDNWHGSNRPWVSFDQNLDYQIGYICSGVFGDNPRPEDGTGSCGPVYVDGANGVKGFSYRYGNGVWIGRTKSHSSRHGFEMIWDPNGWTETDSKFSVRQDVVAMTDWSGYSGSFVQHPELTGLDCMRPCFWVELIRGRPKEKTIWTSASSISFCGVNSDTVDWSWPDGAELPFSIDK
  
Inhibitor
Name:
BDBM50451266
Synonyms:
CHEMBL4208324
Type:
Small organic molecule
Emp. Form.:
C32H34ClN3O6
Mol. Mass.:
592.082
SMILES:
[Cl-].COc1ccc(N2CCN(Cc3cc(OC)c(O)c4c[n+]5CCc6cc7OCOc7cc6-c5cc34)CC2)c(OC)c1
Structure:
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