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SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CNC2CCCC2)s1

InChI Key InChIKey=PKMUHQIDVVOXHQ-HXUWFJFHSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 496842   

TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))
TBA

LigandPNGBDBM496842(SARS-CoV-2 PLpro Inhibitor, 72)copy SMILEScopy InChI
Affinity DataEC50:  1.40E+3nMAssay Description:A549-hACE2 cells were seeded 1.5 × 105 cells/well in DMEM complete into 24-well plates (0.5 mL/well) and then incubated for 16 h at 37 °C and 5% CO2....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H1354MPubMed