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Target
Neuraminidase
Ligand
BDBM4706
Substrate
n/a
Meas. Tech.
ChEMBL_1585713 (CHEMBL3821010)
IC50
1000±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:
BDBM4706
Synonyms:
(2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid | 2,3-didehydro-2-deoxy-N-acetylneuraminic acid | CHEMBL96712 | DANA | Neu5Ac2en
Type:
Small organic molecule
Emp. Form.:
C11H17NO8
Mol. Mass.:
291.2546
SMILES:
CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
Structure:
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