Ligand name: propan-2-yl 2-[[4-(4-azanylpiperidin-1-yl)-2-methoxy-phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
PDB ligand accession: R25
DrugBank: n/a
PubChem: 168008975
ChEMBL: CHEMBL5287229
InChI Key: BUTQOIKDMKIAMT-UHFFFAOYSA-N
SMILES: CC(C)OC(=O)c1cnc(nc1c2cn(c3c2cccc3)C)Nc4ccc(cc4OC)N5CCC(CC5)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Piperidines
      • Subclass: Phenylpiperidines

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
7ZYP	Download	Experimental	e7zypA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot