Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM50451257
Substrate
n/a
Meas. Tech.
ChEMBL_1744757 (CHEMBL4179267)
Ki
960±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:
BDBM50451257
Synonyms:
CHEMBL4204709
Type:
Small organic molecule
Emp. Form.:
C30H29Cl2N3O4
Mol. Mass.:
566.475
SMILES:
[Cl-].COc1cc(CN2CCN(CC2)c2ccc(Cl)cc2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O
Structure:
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