BDBM4994 (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid::CHEMBL674::GS4071::Oseltamivir carboxylate

SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O

InChI Key InChIKey=NENPYTRHICXVCS-YNEHKIRRSA-N

Data  8 KI  99 IC50

PDB links: 42 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 4 hits for monomerid = 4994   

TargetNeuraminidase(Influenza A virus)
Chulalongkorn University

Curated by ChEMBL
LigandPNGBDBM4994((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Affinity DataIC50:  36nMAssay Description:Inhibition of Influenza A virus (A/Teal/Hong Kong/W312/97(H6N1)) neuraminidase N1More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
Chulalongkorn University

Curated by ChEMBL
LigandPNGBDBM4994((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Affinity DataIC50:  53nMAssay Description:Inhibition of Influenza A virus (A/duck/Alberta/35/1976(H1N1)) neuraminidase N1More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
Chulalongkorn University

Curated by ChEMBL
LigandPNGBDBM4994((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Affinity DataIC50:  3.30nMAssay Description:Inhibition of Influenza A virus (A/duck/Germany/1215/1973(H2N3)) neuraminidase N3More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
Chulalongkorn University

Curated by ChEMBL
LigandPNGBDBM4994((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Affinity DataIC50:  2.90nMAssay Description:Inhibition of Influenza A virus (A/duck/Singapore/3/1997(H5N3)) neuraminidase N3More data for this Ligand-Target Pair