Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM50226670
Substrate
n/a
Meas. Tech.
ChEMBL_1439206 (CHEMBL3386731)
IC50
66200±n/a nM
Citation
 Kim, JH; Ryu, YB; Lee, WS; Kim, YH Neuraminidase inhibitory activities of quaternary isoquinoline alkaloids from Corydalis turtschaninovii rhizome. Bioorg Med Chem 22:6047-52 (2014) [PubMed]  Article 
Target
Name:
Neuraminidase
Synonyms:
NA | NRAM_I77AB | Neuraminidase
Type:
PROTEIN
Mol. Mass.:
51863.92
Organism:
Influenza A virus (strain A/USSR/90/1977 H1N1)
Description:
ChEMBL_109720
Residue:
470
Sequence:
MNPNQKIITIGSICMAIGIISLILQIGNIISIWVSHSIQTGSQNHTGICNQRIITYENSTWVNQTYVNISNTNVVAGKDTTSMTLAGNSSLCPIRGWAIYSKDNSIRIGSKGDVFVIREPFISCSHLECRTFFLTQGALLNDKHSNGTVKDRSPYRALMSCPIGEAPSPYNSRFESVAWSASACHDGMGWLTIGISGPDDGAVAVLKYNGIITETIKSWRKQILRTQESECVCVNGSCFTIMTDGPSDGPASYRIFKIEKGKITKSIELDAPNSHYEECSCYPDTGTVMCVCRDNWHGSNRPWVSFNQNLDYQIGYICSGVFGDNPRPKDGKGSCDPVNVDGADGVKGFSYRYGNGVWIGRTKSNSSRKGFEMIWDPNGWTDTDSNFLVKQDVVAMTDWSGYSGSFVQHPELTGLDCMRPCFWVELIRGRPREKTTIWTSGSSISFCGVNSDTVNWSWPDGAELPFTIDK
  
Inhibitor
Name:
BDBM50226670
Synonyms:
CHEMBL251055 | jatrorrhizine
Type:
Small organic molecule
Emp. Form.:
C20H20NO4
Mol. Mass.:
338.3766
SMILES:
COc1cc-2c(CC[n+]3cc4c(OC)c(OC)ccc4cc-23)cc1O
Structure:
Search PDB for entries with ligand similarity: