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Target
Neuraminidase
Ligand
BDBM50469488
Substrate
n/a
Meas. Tech.
ChEMBL_1804225 (CHEMBL4276517)
IC50
1.9±n/a nM
Citation
 Zhang, J; Murugan, NA; Tian, Y; Bertagnin, C; Fang, Z; Kang, D; Kong, X; Jia, H; Sun, Z; Jia, R; Gao, P; Poongavanam, V; Loregian, A; Xu, W; Ma, X; Ding, X; Huang, B; Zhan, P; Liu, X Structure-Based Optimization of N-Substituted Oseltamivir Derivatives as Potent Anti-Influenza A Virus Agents with Significantly Improved Potency against Oseltamivir-Resistant N1-H274Y Variant. J Med Chem 61:9976-9999 (2018) [PubMed]  Article 
Target
Name:
Neuraminidase
Synonyms:
3.2.1.18 | NA | NRAM_I63A3 | Neuraminidase
Type:
PROTEIN
Mol. Mass.:
51961.32
Organism:
Influenza A virus (strain A/Duck/Ukraine/1/1963 H3N8)
Description:
ChEMBL_117837
Residue:
470
Sequence:
MNPNQKIITIGSISLGLVVFNVLLHVVSIIVTVLVLGKGGNNGICNETVVREYNETVRIEKVTQWHNTNVVEYVPYWNGGTYMNNTEAICDAKGFAPFSKDNGIRIGSRGHIFVIREPFVSCSPIECRTFFLTQGSLLNDKHSNGTVKDRSPFRTLMSVEVGQSPNVYQARFEAVAWSATACHDGKKWMTVGVTGPDSKAVAVIHYGGVPTDVVNSWAGDILRTQESSCTCIQGDCYWVMTDGPANRQAQYRIYKANQGRIIGQTDISFNGGHIEECSCYPNDGKVECVCRDGWTGTNRPVLVISPDLSYRVGYLCAGIPSDTPRGEDTQFTGSCTSPMGNQGYGVKGFGFRQGTDVWMGRTISRTSRSGFEILRIKNGWTQTSKEQIRKQVVVDNLNWSGYSGSFTLPVELSGKDCLVPCFWVEMIRGKPEEKTIWTSSSSIVMCGVDYEVADWSWHDGAILPFDIDKM
  
Inhibitor
Name:
BDBM50469488
Synonyms:
CHEMBL4287425
Type:
Small organic molecule
Emp. Form.:
C27H34N2O4S
Mol. Mass.:
482.635
SMILES:
CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(Sc3ccccc3)cc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Structure:
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