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Target
Neuraminidase
Ligand
BDBM50413052
Substrate
n/a
Meas. Tech.
ChEMBL_1739547 (CHEMBL4155297)
IC50
200±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 (strain A/Wilson-Smith/1933 H1N1) (Influenza A virus(strain A/WS/1933 H1N1))
Description:
ChEMBL_881601
Residue:
453
Sequence:
MNPNQKIITIGSICMVVGIISLILQIGNIISIWISHSIQTGNQNHTGICNQGIITYNVVAGQDSTSVILTGNSSLCPIRGWAIHSKDNGIRIGSKGDVFVIREPFISCSHLECRTFFLTQGALLNDKHSNGTVKDRSPYRALMSCPVGEAPSPYNSRFESVAWSASACHDGMGWLTIGISGPDNGAVAVLKYNGIITETIKSWRKKILRTQESECTCVNGSCFTIMTDGPSNGLASYKIFKIEKGKVTKSIELNAPNSHYEECSCYPDTGKVMCVCRDNWHGSNRPWVSFDQNLDYQIGYICSGVFGDNPRPKDGPGSCGPVSADGANGVKGFSYRYGNGVWIGRTKSDSSRHGFEMIWDPNGWTETDSRFSVRQDVVAMTDRSGYSGSFVQHPELTGLDCMRPCFWVELIRGRPEEETIWTSGSIISFCGVNSDTVDWSWPDGAELPFTIDK
  
Inhibitor
Name:
BDBM50413052
Synonyms:
CHEMBL4164188
Type:
Small organic molecule
Emp. Form.:
C26H32N4O9
Mol. Mass.:
544.5537
SMILES:
[H][C@]1(OC(=C[C@H](N\C(N)=N\C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Structure:
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