Ligand name: (E)-3-(3,5-DIFLUORO-4-((1R,3R)-2-(2-FLUORO-2- METHYLPROPYL)-3-METHYL-2,3,4,9-TETRAHYDRO-1H-PYRIDO(3,4-B)INDOL-1-YL)PHENYL)ACRYLIC ACID
PDB ligand accession: KE9
DrugBank: DB15138
PubChem: 86287635
ChEMBL: CHEMBL3623004
InChI Key: DFBDRVGWBHBJNR-BBNFHIFMSA-N
SMILES: CC1Cc2c3ccccc3[nH]c2C(N1CC(C)(C)F)c4c(cc(cc4F)C=CC(=O)O)F
Drug action: antagonist

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Alkaloids and derivatives
    • Class: Harmala alkaloids
      • Subclass: None

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
5ACC	Download	Experimental	e5accA1	Nuclear receptor ligand-binding domain	LigPlot