Reaction Details  Report a problem with these data
Target
Neuraminidase
Ligand
BDBM50496212
Substrate
n/a
Meas. Tech.
ChEMBL_1295475 (CHEMBL3131473)
IC50
2830±n/a nM
Citation
 Grienke, U; Braun, H; Seidel, N; Kirchmair, J; Richter, M; Krumbholz, A; von Grafenstein, S; Liedl, KR; Schmidtke, M; Rollinger, JM Computer-guided approach to access the anti-influenza activity of licorice constituents. J Nat Prod 77:563-70 (2014) [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:
BDBM50496212
Synonyms:
CHEMBL3125438
Type:
Small organic molecule
Emp. Form.:
C35H36O15
Mol. Mass.:
696.6513
SMILES:
[H][C@]1(O[C@H]2OC[C@@](O)(COC(=O)\C=C\c3ccc(O)cc3)[C@@H]2O)[C@H](Oc2ccc(\C=C\C(=O)c3ccc(O)cc3O)cc2)O[C@H](CO)[C@@H](O)[C@@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: