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Target
Neuraminidase
Ligand
BDBM50182248
Substrate
n/a
Meas. Tech.
ChEMBL_1585716 (CHEMBL3821013)
IC50
4.5±n/a nM
Citation
 Sriwilaijaroen, N; Magesh, S; Imamura, A; Ando, H; Ishida, H; Sakai, M; Ishitsubo, E; Hori, T; Moriya, S; Ishikawa, T; Kuwata, K; Odagiri, T; Tashiro, M; Hiramatsu, H; Tsukamoto, K; Miyagi, T; Tokiwa, H; Kiso, M; Suzuki, Y A Novel Potent and Highly Specific Inhibitor against Influenza Viral N1-N9 Neuraminidases: Insight into Neuraminidase-Inhibitor Interactions. J Med Chem 59:4563-77 (2016) [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:
BDBM50182248
Synonyms:
CHEMBL3818654
Type:
Small organic molecule
Emp. Form.:
C18H26F3N5O9
Mol. Mass.:
513.4223
SMILES:
OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)C1CC1 |r,c:9|
Structure:
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