Ligand name: 3-[(1E)-1-{8-[(4-methyl-2-propyl-1H-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6H)-ylidene}ethyl]-1,2,4-oxadiazol-5(4H)-one
PDB ligand accession: KK4
DrugBank: n/a
PubChem: 67211022;135567387;
ChEMBL: CHEMBL4278109
InChI Key: KWALRLFFHWLMRU-ZXVVBBHZSA-N
SMILES: CCCc1nc2c(cccc2n1Cc3ccc4c(c3)COc5ccccc5C4=C(C)C6=NOC(=O)N6)C
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
6AD9	Download	Experimental	e6ad9A1	Nuclear receptor ligand-binding domain	LigPlot