Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM50294423
Substrate
n/a
Meas. Tech.
ChEMBL_1731956 (CHEMBL4147492)
IC50
2070±n/a nM
Citation
 Ju, H; Zhang, J; Sun, Z; Huang, Z; Qi, W; Huang, B; Zhan, P; Liu, X Discovery of C-1 modified oseltamivir derivatives as potent influenza neuraminidase inhibitors. Eur J Med Chem 146:220-231 (2018) [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:
BDBM50294423
Synonyms:
CHEMBL4171676
Type:
Small organic molecule
Emp. Form.:
C21H30BrN3O3
Mol. Mass.:
452.385
SMILES:
CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccc(Br)cc1 |r,c:7|
Structure:
Search PDB for entries with ligand similarity: