Ligand name: 4-{[methyl(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)carbamoyl]amino}benzoic acid
PDB ligand accession: O40
DrugBank: n/a
PubChem: 11583807
ChEMBL: n/a
InChI Key: JBWDFALEPSJCLA-UHFFFAOYSA-N
SMILES: CCCc1c(ccc2c1onc2C(F)(F)F)OCCCN(C)C(=O)Nc3ccc(cc3)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: N-phenylureas

List of PDB structures and/or AlphaFold models with target protein Q13133

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3IPU	Download	Experimental	e3ipuA1 e3ipuB1	Nuclear receptor ligand-binding domain Nuclear receptor ligand-binding domain	LigPlot