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Target
Neuraminidase
Ligand
BDBM50092141
Substrate
n/a
Meas. Tech.
ChEMBL_144590 (CHEMBL882330)
IC50
40000±n/a nM
Citation
 Babu, YS; Chand, P; Bantia, S; Kotian, P; Dehghani, A; El-Kattan, Y; Lin, TH; Hutchison, TL; Elliott, AJ; Parker, CD; Ananth, SL; Horn, LL; Laver, GW; Montgomery, JA BCX-1812 (RWJ-270201): discovery of a novel, highly potent, orally active, and selective influenza neuraminidase inhibitor through structure-based drug design. J Med Chem 43:3482-6 (2000) [PubMed]  Article 
Target
Name:
Neuraminidase
Synonyms:
Influenza A Virus Neuraminidase | NA | NRAM_I34A1 | Neuraminidase | Neuraminidase A
Type:
Enzyme
Mol. Mass.:
50124.14
Organism:
Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(H1N1))
Description:
P03468
Residue:
454
Sequence:
MNPNQKIITIGSICLVVGLISLILQIGNIISIWISHSIQTGSQNHTGICNQNIITYKNSTWVKDTTSVILTGNSSLCPIRGWAIYSKDNSIRIGSKGDVFVIREPFISCSHLECRTFFLTQGALLNDKHSNGTVKDRSPYRALMSCPVGEAPSPYNSRFESVAWSASACHDGMGWLTIGISGPDNGAVAVLKYNGIITETIKSWRKKILRTQESECACVNGSCFTIMTDGPSDGLASYKIFKIEKGKVTKSIELNAPNSHYEECSCYPDTGKVMCVCRDNWHGSNRPWVSFDQNLDYQIGYICSGVFGDNPRPEDGTGSCGPVYVDGANGVKGFSYRYGNGVWIGRTKSHSSRHGFEMIWDPNGWTETDSKFSVRQDVVAMTDWSGYSGSFVQHPELTGLDCMRPCFWVELIRGRPKEKTIWTSASSISFCGVNSDTVDWSWPDGAELPFSIDK
  
Inhibitor
Name:
BDBM50092141
Synonyms:
5-(1-Acetylamino-2,3,4-trihydroxy-butyl)-2,4-dihydroxy-tetrahydro-furan-2-carboxylic acid | CHEMBL115522
Type:
Small organic molecule
Emp. Form.:
C11H19NO9
Mol. Mass.:
309.2699
SMILES:
CC(=O)N[C@@H]([C@H](O)[C@H](O)CO)[C@H]1OC(O)(C[C@@H]1O)C(O)=O
Structure:
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