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Target
Neuraminidase
Ligand
BDBM50143049
Substrate
n/a
Meas. Tech.
ChEMBL_1550568 (CHEMBL3762263)
IC50
144000±n/a nM
Citation
 Chen, BL; Wang, YJ; Guo, H; Zeng, GY Design, synthesis, and biological evaluation of crenatoside analogues as novel influenza neuraminidase inhibitors. Eur J Med Chem 109:199-205 (2016) [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:
BDBM50143049
Synonyms:
Crenatoside
Type:
Small organic molecule
Emp. Form.:
C29H34O15
Mol. Mass.:
622.5713
SMILES:
[H][C@@]1(O[C@H]2[C@H](OC(=O)\C=C\c3ccc(O)c(O)c3)[C@@H](CO)O[C@@]3([H])OC[C@@H](O[C@]23[H])c2ccc(O)c(O)c2)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r|
Structure:
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