Ligand name: N-cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[(2R)-2-hydroxy-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide
PDB ligand accession: 4GQ
DrugBank: n/a
PubChem: 91757965
ChEMBL: CHEMBL3590526
InChI Key: WVRBXBROEPXZHF-SANMLTNESA-N
SMILES: c1cc(c2c(c1)NC(=O)CO2)C(CNCCN(C3CCCCC3)C(=O)CCNCCc4ccc(c(c4)Cl)Cl)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzoxazines
      • Subclass: Benzoxazinones

List of PDB structures and/or AlphaFold models with target protein Q9NRG4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4YND	Download	Experimental	e4yndA1	beta-clip	LigPlot