Ligand name: N-{(3S)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl}-N'-{4-[(morpholin-4-yl)methyl]-3-(trifluoromethyl)phenyl}urea
PDB ligand accession: 66X
DrugBank: n/a
PubChem: 117995570
ChEMBL: CHEMBL4532382
InChI Key: LVIYMOOJJGCMCP-KRWDZBQOSA-N
SMILES: CNc1nccc(n1)N2CCC(C2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCOCC4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: N-phenylureas

List of PDB structures and/or AlphaFold models with target protein P49336

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5HVY	Download	Experimental	e5hvyA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot