Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM50413053
Substrate
n/a
Meas. Tech.
ChEMBL_1739548 (CHEMBL4155298)
IC50
18±n/a nM
Citation
 Hsu, PH; Chiu, DC; Wu, KL; Lee, PS; Jan, JT; Cheng, YE; Tsai, KC; Cheng, TJ; Fang, JM Acylguanidine derivatives of zanamivir and oseltamivir: Potential orally available prodrugs against influenza viruses. Eur J Med Chem 154:314-323 (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:
BDBM50413053
Synonyms:
CHEMBL4172062
Type:
Small organic molecule
Emp. Form.:
C23H40N4O5
Mol. Mass.:
452.5875
SMILES:
CCCCCCCC(=O)\N=C(/N)N[C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O |r,c:15|
Structure:
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