Target
Neuraminidase
Ligand
BDBM50365357
Substrate
n/a
Meas. Tech.
ChEMBL_1735172 (CHEMBL4150708)
Ki
4.0±n/a nM
Citation
 Zhang, JPoongavanam, VKang, DBertagnin, CLu, HKong, XJu, HLu, XGao, PTian, YJia, HDesta, SDing, XSun, LFang, ZHuang, BLiang, XJia, RMa, XXu, WMurugan, NALoregian, AHuang, BZhan, PLiu, X Optimization of N-Substituted Oseltamivir Derivatives as Potent Inhibitors of Group-1 and -2 Influenza A Neuraminidases, Including a Drug-Resistant Variant. J Med Chem 61:6379-6397 (2018) [PubMed]  Article 
Target
Name:
Neuraminidase
Synonyms:
NA | NRAM_I71A1
Type:
PROTEIN
Mol. Mass.:
52105.18
Organism:
Influenza A virus (strain A/Memphis/1/1971 H3N2)
Description:
ChEMBL_578382
Residue:
469
Sequence:
MNPNQKIITIGSVSLTIATVCFLMQIAILVTTVTLHFKQYECDSPANNQVMPCEPIIIERNITEIVYLTNTTIEKEICPKLVEYRNWSKPQCKITGFAPFSKDNSIRLSAGGDIWVTREPYVSCDPGKCYQFALGQGTTLDNKHSNDTIHDRIPHRTLLMNELGVPFHLGTRQVCIAWSSSSCHDGKAWLHVCVTGDDKNATASFIYDGRLVDSIGSWSQNILRTQESECVCINGTCTVVMTDGSASGRADTRILFIEEGKIVHISPLSGSAQHVEECSCYPRYPGVRCICRDNWKGSNRPVVDINVKDYSIDSRYVCSGLVGDTPRNNDRSSNSNCRNPNNDKGNHGVKGWAFDDGNDVWMGRTISKDSRSGYETFKVIGGWSTPNSKSQINRQVIVDSDNRSGYSGIFSVEGKSCINRCFYVELIRGREQETRVWWTSNSIVVFCGTSGTYGTGSWPDGADINLMPI
  
Inhibitor
Name:
BDBM50365357
Synonyms:
CHEMBL4168935
Type:
Small organic molecule
Emp. Form.:
C20H33N7O5
Mol. Mass.:
451.5199
SMILES:
CCC(CC)O[C@@H]1C=C([C@@H]([C@H](NC(N)=N)[C@H]1NC(C)=O)n1cc(nn1)C(O)CC)C(O)=O |r,c:7|
Structure:
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