Ligand name: 5-{3-[(4-{3-[4-(1-methylethyl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine
PDB ligand accession: 534
DrugBank: n/a
PubChem: 56955955
ChEMBL: CHEMBL2152126
InChI Key: IVXKQJAJTVBVLV-UHFFFAOYSA-N
SMILES: CC(C)c1ccc(cc1)c2c(nccn2)N3CCN(CC3)S(=O)(=O)c4cccc(c4)c5cnc(nc5)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazines
      • Subclass: Pyrimidines and pyrimidine derivatives

List of PDB structures and/or AlphaFold models with target protein P48736

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4ANX	Download	Experimental	e4anxA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot