Ligand name: 3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline
PDB ligand accession: BQM
DrugBank: DB07486
PubChem: 11712628
ChEMBL: CHEMBL478464
InChI Key: KLSZVPNVFKKIRD-FNORWQNLSA-N
SMILES: c1cc(cc(c1)Sc2ccc(c(c2C(F)(F)F)C(F)(F)F)C=CC(=O)N3CCOCC3)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Cinnamic acids and derivatives
      • Subclass: None

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P20701

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3BQM	Download	Experimental	e3bqmB1 e3bqmC1	HAD domain-related HAD domain-related	LigPlot