Ligand name: (1S,5R)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
PDB ligand accession: A6T
DrugBank: n/a
PubChem: 42627773
ChEMBL: CHEMBL500811
InChI Key: SXZFQYPWEANJGQ-DWACAAAGSA-N
SMILES: c1cc(c(c(c1)Cl)Cl)CN(C2CC2)C(=O)C3=C(CC4CNCC3N4)c5ccc(cc5)CCCOc6c(ccc(c6Cl)F)F
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
3G72	Download	Experimental	e3g72A2 e3g72A3 e3g72B2 e3g72B3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot