Ligand name: (5R)-1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
PDB ligand accession: JPU
DrugBank: DB08811
PubChem: 5502
ChEMBL: CHEMBL404216
InChI Key: RUJBDQSFYCKFAA-UHFFFAOYSA-N
SMILES: CCC1c2cc(c(cc2C(=NN=C1C)c3ccc(c(c3)OC)OC)OC)OC
Drug action: inhibitor

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q9Y233

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5SII	Download	Experimental	e5siiA1 e5siiB1 e5siiC1 e5siiD1	PDEase-like PDEase-like PDEase-like PDEase-like	LigPlot