Ligand name: 3-[(1~{E})-1-[8-[(8-chloranyl-2-cyclopropyl-imidazo[1,2-a]pyridin-3-yl)methyl]-3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene]ethyl]-4~{H}-1,2,4-oxadiazol-5-one
PDB ligand accession: CTU
DrugBank: n/a
PubChem: 71496887;136264026;
ChEMBL: CHEMBL4570541
InChI Key: YMJQPWIALYBIJM-MFKUBSTISA-N
SMILES: CC(=C1c2ccc(cc2COc3c1ccc(c3)F)Cc4c(nc5n4cccc5Cl)C6CC6)C7=NOC(=O)N7
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzoxepines
      • Subclass: Dibenzoxepines

List of PDB structures and/or AlphaFold models with target protein P37231

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6K0T	Download	Experimental	e6k0tA1 e6k0tC1	Nuclear receptor ligand-binding domain Nuclear receptor ligand-binding domain	LigPlot