Ligand name: (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid
PDB ligand accession: 782
DrugBank: n/a
PubChem: 124222742
ChEMBL: CHEMBL4063838
InChI Key: HKXVKUOGCLJVEZ-AJVPWASQSA-N
SMILES: CC(C)c1ccc(cc1)N2CCc3cc(ccc3C2(C)c4ccc(cc4)C=CC(=O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Tetrahydroisoquinolines
      • Subclass: 1-phenyltetrahydroisoquinolines

List of PDB structures and/or AlphaFold models with target protein P03372

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5T97	Download	Experimental	e5t97A1 e5t97B1	Nuclear receptor ligand-binding domain Nuclear receptor ligand-binding domain	LigPlot