Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM50401400
Substrate
n/a
Meas. Tech.
ChEMBL_882379 (CHEMBL2209784)
IC50
114±n/a nM
Citation
 Cheng, TJ; Weinheimer, S; Tarbet, EB; Jan, JT; Cheng, YS; Shie, JJ; Chen, CL; Chen, CA; Hsieh, WC; Huang, PW; Lin, WH; Wang, SY; Fang, JM; Hu, OY; Wong, CH Development of oseltamivir phosphonate congeners as anti-influenza agents. J Med Chem 55:8657-70 (2012) [PubMed]  Article 
Target
Name:
Neuraminidase
Synonyms:
NA | NRAM_I72A2
Type:
PROTEIN
Mol. Mass.:
52146.22
Organism:
Influenza A virus (strain A/Udorn/307/1972 H3N2)
Description:
ChEMBL_882379
Residue:
469
Sequence:
MNPNQKIITIGSVSLTIATICFLMQIAILVTTVTLHFKQYECDSPANNQVMPCEPIIIERNITEIVYLTNTTIEKEICPKLVEYRNWSKPQCKITGFAPFSKDNSIRLSAGGDIWVTREPYVSCDPGKCYQFALGQGTTLDNKHSNDTIHDRTPHRTLLMNELGVPFHLGTRQVCIAWSSSSCHDGKAWLHVCVTGYDKNATASFIYDGRLVDSIGSWSQNILRTQESECVCINGTCTVVMTDGSASGRADTKILFIEEGKIVHISPLSGSAQHVEECSCYPRYPGVRCICRDNWKGSNRPVVDINVKDYSIDSSYVCSGLVGDTPRNNDRSSNSYCRNPNNEKGNHGVKGWAFDDGNDVWMGRTISEDSRSGYETFKVIGGWSTPNSKLQINRQVIVDSDNRSGYSGIFSVEGKSCINRCFYVELIRGREQETRVWWTSNSIVVFCGTSGTYGTGSWPDGADINLMPI
  
Inhibitor
Name:
BDBM50401400
Synonyms:
CHEMBL2206932
Type:
Small organic molecule
Emp. Form.:
C16H31N4O5P
Mol. Mass.:
390.4149
SMILES:
[#6]-[#6]-[#8]P([#8])(=O)[#6]-1=[#6]-[#6@@H](-[#8]-[#6](-[#6]-[#6])-[#6]-[#6])-[#6@H](-[#7]-[#6](-[#6])=O)-[#6@H](-[#6]-1)\[#7]=[#6](\[#7])-[#7] |r,t:6|
Structure:
Search PDB for entries with ligand similarity: