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.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 4994   

TargetNeuraminidase(Influenza A virus (strain A/Memphis/1/1971 H3N2))
The Hong Kong Polytechnic University

Curated by ChEMBL

LigandBDBM4994((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)Copy SMILESCopy InChI

Affinity DataIC50:  0.110nMAssay Description:Inhibition of influenza A virus H3N2 clinical isolate neuraminidase using NA-Fluor MUNANA as substrate preincubated for 20 to 30 mins followed by sub...More data for this Ligand-Target Pair

Target InfoPDBMMDB
UniProtKB/SwissProt
B.MOADGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLMCE
MMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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