Ligand name: 1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
PDB ligand accession: 33Y
DrugBank: DB12719
PubChem: 10026128
ChEMBL: CHEMBL454138
InChI Key: INASOKQDNHHMRE-UHFFFAOYSA-N
SMILES: CC(C)OC(=O)C1=CN(CC(c2c1[nH]c3c2cccc3)(C)C)C(=O)c4ccc(c(c4)F)F
Drug action: modulator

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: Indoles

List of PDB structures and/or AlphaFold models with target protein Q96RI1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3FLI	Download	Experimental	e3fliA1	Nuclear receptor ligand-binding domain	LigPlot
5Z12	Download	Experimental	e5z12A1 e5z12D1	Nuclear receptor ligand-binding domain Nuclear receptor ligand-binding domain	LigPlot