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Target
Neuraminidase
Ligand
BDBM50489423
Substrate
n/a
Meas. Tech.
ChEMBL_935174 (CHEMBL2317336)
IC50
90±n/a nM
Citation
 Feng, E; Shin, WJ; Zhu, X; Li, J; Ye, D; Wang, J; Zheng, M; Zuo, JP; No, KT; Liu, X; Zhu, W; Tang, W; Seong, BL; Jiang, H; Liu, H Structure-based design and synthesis of C-1- and C-4-modified analogs of zanamivir as neuraminidase inhibitors. J Med Chem 56:671-84 (2013) [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:
BDBM50489423
Synonyms:
CHEMBL2315323
Type:
Small organic molecule
Emp. Form.:
C19H26FN5O6
Mol. Mass.:
439.438
SMILES:
[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NCc1cccc(F)c1)[C@H](O)[C@H](O)CO |r,c:3|
Structure:
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