Ligand name: 1-[2-(dimethylamino)ethyl]-3-{[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl}urea
PDB ligand accession: EMQ
DrugBank: n/a
PubChem: 23634407
ChEMBL: CHEMBL1077204
InChI Key: MARIUIDCPUZLKZ-FUKQBSRTSA-N
SMILES: CN(C)CCNC(=O)NCC1CCC2C(Nc3ccc(cc3C2O1)C(F)(F)F)c4ccccc4
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P52732

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3L9H	Download	Experimental	e3l9hA1 e3l9hB1	P-loop domains-like P-loop domains-like	LigPlot