Ligand name: 4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine
PDB ligand accession: BQN
DrugBank: n/a
PubChem: 24875307
ChEMBL: CHEMBL487705
InChI Key: ZRIKDHLPCRURPX-CSKARUKUSA-N
SMILES: c1ccc(c(c1)OCc2cccnc2)Sc3ccc(c(c3C(F)(F)F)C(F)(F)F)C=CC(=O)N4CCOCC4
Drug action: n/a

ClassyFire chemical classification:

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

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
3BQN	Download	Experimental	e3bqnB1 e3bqnC1	HAD domain-related HAD domain-related	LigPlot