BDBM50330326 (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

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]

InChI Key InChIKey=ARAIBEBZBOPLMB-UFGQHTETSA-N

Data  13 KI  195 IC50

PDB links: 27 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50330326   

TargetNeuraminidase(Influenza A virus)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50330326((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Affinity DataIC50:  7.70nMAssay Description:Inhibition of Influenza A virus A/Anhui/1/2005(H5N1) neuraminidase N1 H274Y mutant using fluorogenic MUNANA as substrate preincubated for 10 mins fol...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus (strain A/Duck/Ukraine/1/1963 H3...)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50330326((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Affinity DataIC50:  7.40nMAssay Description:Inhibition of Influenza A virus A/goose/Jiangsu/1306/2014(H5N8) neuraminidase N8 using fluorogenic MUNANA as substrate preincubated for 10 mins follo...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus (strain A/Budgerigar/Hokkaido/1/...)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50330326((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Affinity DataIC50:  23nMAssay Description:Inhibition of Influenza A virus A/duck/Guangdong/674/2014(H5N6) neuraminidase N6 using fluorogenic MUNANA as substrate preincubated for 10 mins follo...More data for this Ligand-Target Pair