Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM50464877
Substrate
n/a
Meas. Tech.
ChEMBL_1783257 (CHEMBL4254774)
IC50
0.440000±n/a nM
Citation
 Wang, PC; Chiu, DC; Jan, JT; Huang, WI; Tseng, YC; Li, TT; Cheng, TJ; Tsai, KC; Fang, JM Peramivir conjugates as orally available agents against influenza H275Y mutant. Eur J Med Chem 145:224-234 (2018) [PubMed]  Article 
Target
Name:
Neuraminidase
Synonyms:
NA | NRAM_I33A0
Type:
PROTEIN
Mol. Mass.:
49687.56
Organism:
Influenza A virus (strain A/Wilson-Smith/1933 H1N1) (Influenza A virus(strain A/WS/1933 H1N1))
Description:
ChEMBL_881601
Residue:
453
Sequence:
MNPNQKIITIGSICMVVGIISLILQIGNIISIWISHSIQTGNQNHTGICNQGIITYNVVAGQDSTSVILTGNSSLCPIRGWAIHSKDNGIRIGSKGDVFVIREPFISCSHLECRTFFLTQGALLNDKHSNGTVKDRSPYRALMSCPVGEAPSPYNSRFESVAWSASACHDGMGWLTIGISGPDNGAVAVLKYNGIITETIKSWRKKILRTQESECTCVNGSCFTIMTDGPSNGLASYKIFKIEKGKVTKSIELNAPNSHYEECSCYPDTGKVMCVCRDNWHGSNRPWVSFDQNLDYQIGYICSGVFGDNPRPKDGPGSCGPVSADGANGVKGFSYRYGNGVWIGRTKSDSSRHGFEMIWDPNGWTETDSRFSVRQDVVAMTDRSGYSGSFVQHPELTGLDCMRPCFWVELIRGRPEEETIWTSGSIISFCGVNSDTVDWSWPDGAELPFTIDK
  
Inhibitor
Name:
BDBM50464877
Synonyms:
CHEMBL4288789
Type:
Small organic molecule
Emp. Form.:
C28H42N6O8
Mol. Mass.:
590.6685
SMILES:
[H][C@]1([C@@H](NC(C)=O)C(CC)CC)[C@@H](C[C@@H]([C@H]1OC(=O)NCCCNC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)NC(N)=N |r|
Structure:
Search PDB for entries with ligand similarity: