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Target
Neuraminidase
Ligand
BDBM50063303
Substrate
n/a
Meas. Tech.
ChEMBL_532949 (CHEMBL986926)
IC50
319963177±n/a nM
Citation
 Lü, WJ; Chen, YL; Ma, WP; Zhang, XY; Luan, F; Liu, MC; Chen, XG; Hu, ZD QSAR study of neuraminidase inhibitors based on heuristic method and radial basis function network. Eur J Med Chem 43:569-76 (2008) [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:
BDBM50063303
Synonyms:
(2R,3R,4S)-3-acetamido-4-amino-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid | (4S,5R,6R)-5-Acetylamino-4-amino-6-((1R,2R)-1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid | (4S,5R,6R)-5-acetamido-4-amino-6-((1R,2R)-1,2,3-trihydroxypropyl)-5,6-dihydro-4H-pyran-2-carboxylic acid | 4-AMINO-2-DEOXY-2,3-DEHYDRO-N-NEURAMINIC ACID | CHEMBL52270
Type:
Small organic molecule
Emp. Form.:
C11H18N2O7
Mol. Mass.:
290.2698
SMILES:
CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
Structure:
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