Target
Neuraminidase
Ligand
BDBM50330326
Substrate
n/a
Meas. Tech.
ChEMBL_709408 (CHEMBL1665842)
Ki
0.5±n/a nM
Citation
 Govorkova, EAIlyushina, NAMcClaren, JLNaipospos, TSDouangngeun, BWebster, RG Susceptibility of highly pathogenic H5N1 influenza viruses to the neuraminidase inhibitor oseltamivir differs in vitro and in a mouse model. Antimicrob Agents Chemother 53:3088-96 (2009) [PubMed]  Article 
Target
Name:
Neuraminidase
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
49178.82
Organism:
Influenza A virus
Description:
ChEMBL_709408
Residue:
449
Sequence:
MNPNQKIITIGSICMVVGIVSLMLQIGNMISIWVSHSIQTGNQHQAEPIRNTNFLTENAVASVTLAGNSSLCPIRGWAVHSKDNSIRIGSKGDVFVIREPFISCSHLECRTFFLTQGALLNDKHSNGTVKDRSPHRTLMSCPVGEAPSPYNSRFESVAWSASACHDGTSWLTIGISGPDNGAVAVLKYNGIITDTIKSWRNNILRTQESECACVNGSCFTVMTDGPSNGQASYKIFKMEKGKVVKSVELNAPNYHYEECSCYPDAGEIICVCRDNWHGSNRPWVSFNQNLEYQIGYICSGVFGDNPRPNDGTGSCGPVSPNGAYGIKGFSFKYGNGVWIGRTKSTNSRSGFEMIWDPNGWTGTDSNFSMKQDIVAITDWSGYSGSFVQHPELTGLDCIRPCFWVELIRGRPKESTIWTSGSSISFCGVNSDTVSWSWPDGAELPFTIDK
  
Inhibitor
Name:
BDBM50330326
Synonyms:
(4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid | (4S,5R,6R)-5-Acetylamino-4-guanidino-6-((R)-1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid | (4S,5R,6R)-5-Acetylamino-4-guanidino-6-(1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid | (4S,5R,6R)-5-acetamido-4-(diaminomethyleneamino)-6-((1R,2R)-1,2,3-trihydroxypropyl)-5,6-dihydro-4H-pyran-2-carboxylic acid | (4S,5R,6R)-5-acetylamino-4-guanidino-6-((1R,2R)-1,2,3-trihydroxy-propy)-5,6-dihydro-4H-pyran-2-carboxylic acid | (4S,5R,6R)-5-acetylamino-4-guanidino-6-((1R,2R)-1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid | 4-diaminomethylamino-3-methylcarboxamido-2-(1,2,3-trihydroxypropyl)-(3R)-3,4-dihydro-2H-6-pyrancarboxylic acid(Zanamivir) | 5-Acetylamino-4-guanidino-6-(1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid | 5-Acetylamino-4-guanidino-6-(1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid(zanamivir) | 5-Formylamino-4-guanidino-6-(1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid | CHEMBL222813 | GR-121167X | Relenza | Zanamivi
Type:
Small organic molecule
Emp. Form.:
C12H20N4O7
Mol. Mass.:
332.3098
SMILES:
[#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6|
Structure:
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