Ligand name: ethyl (5S)-3-(3,4-difluorobenzene-1-carbonyl)-1,1-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate
PDB ligand accession: 9M1
DrugBank: n/a
PubChem: 137348838
ChEMBL: n/a
InChI Key: CTKZFOFWQDITSZ-INIZCTEOSA-N
SMILES: CCOC(=O)C1CN(CC(c2c1[nH]c3c2cccc3)(C)C)C(=O)c4ccc(c(c4)F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrroloazepines
      • Subclass: None

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
5Q0Z	Download	Experimental	e5q0zA1 e5q0zC1	Nuclear receptor ligand-binding domain Nuclear receptor ligand-binding domain	LigPlot