Ligand name: (1R,5S)-N-cyclopropyl-7-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}-N-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
PDB ligand accession: A7T
DrugBank: n/a
PubChem: 11578126
ChEMBL: CHEMBL1230745
InChI Key: VKBBVOVNGWGZCA-HVIPQOSHSA-N
SMILES: Cc1cccc(c1C)CN(C2CC2)C(=O)C3=C(CC4CNCC3N4)c5ccc(cc5)OCCOc6c(cc(cc6Cl)C)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Cinnamic acids and derivatives
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P00797

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3G6Z	Download	Experimental	e3g6zA2 e3g6zA3 e3g6zB2 e3g6zB3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot