Ligand name: 2,6-dichloro-N-{2-[(2-{[(2S)-1-hydroxypropan-2-yl]amino}-6-methylpyrimidin-4-yl)amino]pyridin-4-yl}benzamide
PDB ligand accession: 3R1
DrugBank: n/a
PubChem: 68672618
ChEMBL: CHEMBL3354183
InChI Key: SMUCRZPXLSRBNU-LBPRGKRZSA-N
SMILES: Cc1cc(nc(n1)NC(C)CO)Nc2cc(ccn2)NC(=O)c3c(cccc3Cl)Cl
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 P00533

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4RJ7	Download	Experimental	e4rj7A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot