Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM5234
Substrate
n/a
Meas. Tech.
ChEMBL_144565 (CHEMBL748875)
IC50
85±n/a nM
Citation
 Erlanson, DA; McDowell, RS; O'Brien, T Fragment-based drug discovery. J Med Chem 47:3463-82 (2004) [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:
BDBM5234
Synonyms:
(3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-ylamino)cyclohex-1-ene-1-carboxylic acid | C3-Aza Carbocyclic Analogue 3j | CHEMBL320978
Type:
Small organic molecule
Emp. Form.:
C14H25N3O3
Mol. Mass.:
283.3666
SMILES:
CCC(CC)N[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Structure:
Search PDB for entries with ligand similarity: