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Target
Neuraminidase
Ligand
BDBM4994
Substrate
n/a
Meas. Tech.
ChEMBL_679996 (CHEMBL1280944)
IC50
1.6±n/a nM
Citation
 Hata, K; Koseki, K; Yamaguchi, K; Moriya, S; Suzuki, Y; Yingsakmongkon, S; Hirai, G; Sodeoka, M; von Itzstein, M; Miyagi, T Limited inhibitory effects of oseltamivir and zanamivir on human sialidases. Antimicrob Agents Chemother 52:3484-91 (2008) [PubMed]  Article 
Target
Name:
Neuraminidase
Synonyms:
NA | NRAM_I68A0
Type:
PROTEIN
Mol. Mass.:
52187.20
Organism:
Influenza A virus (strain A/Aichi/2/1968 H3N2)
Description:
ChEMBL_679996
Residue:
469
Sequence:
MNPNQKIITIGSVSLTIATVCFLMQIAILVTTVTLHFKQYECDSPASNQVMPCEPIIIERNITEIVYLNNTTIDKEKCPKVVEYRNWSKPQCQITGFAPFSKDNSIRLSAGGDIWVTREPYVSCDHGKCYQFALGQGTTLDNKHSNDTIHDRIPHRTLLMNELGVPFHLGTRQVCIAWSSSSCHDGKAWLHVCITGDDKNATASFIYDGRLVDSIGSWSQNILRTQESECVCINGTCTVVMTDGSASGRADTRILFIEEGKIVHISPLSGSAQHVEECSCYPRYPGVRCICRDNWKGSNRPVVDINMEDYSIDSSYVCSGLVGDTPRNDDRSSNSNCRNPNNERGNQGVKGWAFDNGDDVWMGRTISKDLRSGYETFKVIGGWSTPNSKSQINRQVIVDSDNRSGYSGIFSVEGKSCINRCFYVELIRGRKQETRVWWTSNSIVVFCGTSGTYGTGSWPDGANINFMPI
  
Inhibitor
Name:
BDBM4994
Synonyms:
(3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid | CHEMBL674 | GS4071 | Oseltamivir carboxylate
Type:
Small organic molecule
Emp. Form.:
C14H24N2O4
Mol. Mass.:
284.3514
SMILES:
CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Structure:
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