Ligand name: (R)-N2-(4-(cyclopropylmethoxy)-3,5-difluorophenyl)-5-(3-methylpiperazin-1-yl)-N4-(tetrahydro-2H-pyran-4-yl)pyrimidine-2,4-diamine
PDB ligand accession: S4N
DrugBank: n/a
PubChem: 155803648
ChEMBL: CHEMBL4756823
InChI Key: FPYULJCYPOLXGV-OAHLLOKOSA-N
SMILES: CC1CN(CCN1)c2cnc(nc2NC3CCOCC3)Nc4cc(c(c(c4)F)OCC5CC5)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of PDB structures and/or AlphaFold models with target protein Q12866

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7AVZ	Download	Experimental	e7avzA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot