Ligand name: (1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZIN-2-YL]PHENYL}-2-PHENYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-OL
PDB ligand accession: AEJ
DrugBank: DB03802
PubChem: 5287617
ChEMBL: n/a
InChI Key: ZGHFWBDHZZKWSI-LITSAYRRSA-N
SMILES: c1ccc(cc1)N2CCc3cc(ccc3C2c4ccc(cc4)N5CCN6CCCCC6C5)O
Drug action: n/a

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

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
1XQC	Download	Experimental	e1xqcA1 e1xqcC1 e1xqcB1 e1xqcC1 e1xqcD1	Nuclear receptor ligand-binding domain Nuclear receptor ligand-binding domain Nuclear receptor ligand-binding domain Nuclear receptor ligand-binding domain Nuclear receptor ligand-binding domain	LigPlot