Ligand name: (4-{[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-2-fluoro-5-methoxyphenyl)(morpholin-4-yl)methanone
PDB ligand accession: 4K5
DrugBank: n/a
PubChem: 71451847
ChEMBL: CHEMBL2178135
InChI Key: FKNAWDCGDQUZRV-UHFFFAOYSA-N
SMILES: COc1cc(c(cc1Nc2ncc(c(n2)NC3CC3)C(F)(F)F)F)C(=O)N4CCOCC4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein Q6XHB2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4YZN	Download	Experimental	e4yznA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot