Ligand name: 1-[4-(2H-1,3-benzodioxole-5-carbonyl)-2,3,4,5-tetrahydro-1H-1,4-diazepin-1-yl]ethan-1-one
PDB ligand accession: LFJ
DrugBank: n/a
PubChem: 138115364
ChEMBL: n/a
InChI Key: BVVWUNAJSHTQLD-UHFFFAOYSA-N
SMILES: CC(=O)N1CCN(CC=C1)C(=O)c2ccc3c(c2)OCO3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzodioxoles
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q8IU60

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5QOY	Download	Experimental	e5qoyA1	beta-Grasp	LigPlot