Ligand name: 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE
PDB ligand accession: BI9
DrugBank: DB07460
PubChem: 9934347
ChEMBL: CHEMBL458997
InChI Key: UYJNQQDJUOUFQJ-UHFFFAOYSA-N
SMILES: CNC(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCOCC4)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Oxazinanes
      • Subclass: Morpholines

List of PDB structures and/or AlphaFold models with target protein Q96RR4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6BQL	Download	Experimental	e6bqlA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot