BDBM535126 (1R,2S,5S)-6,6-Dimethyl-3-[N-(methylsulfonyl)-L-valyl]-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]-1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]propan-2-yl}-3-azabicyclo[3.1.0]hexane-2-carboxamide (4)::WO2022013684, Example 4

SMILES CC(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc3c(cccc3s1)C(F)(F)F)C2(C)C

InChI Key InChIKey=GUJGRLXLHVRNHU-ACDSVZCDSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 535126   

TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

WIPO
LigandPNGBDBM535126((1R,2S,5S)-6,6-Dimethyl-3-[N-(methylsulfonyl)-L-va...)
Affinity DataKi:  7.74nMAssay Description:The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed