Ligand name: 6-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3,5-bis(fluoranyl)phenyl]methoxy]-1-methyl-pyrimidin-2-one
PDB ligand accession: VQ7
DrugBank: n/a
PubChem: 121005813
ChEMBL: CHEMBL3792924
InChI Key: FLCSHCSBIFPQJJ-UHFFFAOYSA-N
SMILES: CN1C(=CC(=NC1=O)OCc2cc(c(c(c2)F)Oc3ccc(c(c3)C(F)(F)F)Cl)F)N4CCS(=O)(=O)CC4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Diphenylethers

List of PDB structures and/or AlphaFold models with target protein Q13093

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5I8P	Download	Experimental	e5i8pA1 e5i8pB1	alpha/beta-Hydrolases alpha/beta-Hydrolases	LigPlot