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

ClassyFire chemical classification:

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

List of proteins that are targets for 4GQ

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	Q9NRG4_4GQ	Q9NRG4	N-lysine methyltransferase SMYD2	n/a