Ligand name: 2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine
PDB ligand accession: JDG
DrugBank: n/a
PubChem: 137333995
ChEMBL: CHEMBL4454542
InChI Key: CEYUGMZUIYBLTQ-UHFFFAOYSA-N
SMILES: CC(C)N1CCC(CC1)NC2=NCC(=Nc3c2cc(c(c3)OCCCN4CCCC4)OC)C5CCCCC5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzodiazepines
      • Subclass: 1,4-benzodiazepines

List of PDB structures and/or AlphaFold models with target protein Q9H9B1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6MBO	Download	Experimental	e6mboA2 e6mboB2	beta-clip beta-clip	LigPlot
6MBP	Download	Experimental	e6mbpA1 e6mbpB1	beta-clip beta-clip	LigPlot