Ligand name: (2E,5R)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one
PDB ligand accession: 3KW
DrugBank: n/a
PubChem: 11568842
ChEMBL: n/a
InChI Key: XBQKWFZOPAEITA-TWLCBMPQSA-N
SMILES: CN1C(=O)C(NC1=N)(CCC2CCCCC2)CC3CCCC(C3)Nc4ccc5ccccc5n4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: Aminoquinolines and derivatives

List of PDB structures and/or AlphaFold models with target protein P56817

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4R95	Download	Experimental	e4r95A1 e4r95A2 e4r95B1 e4r95B2	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot