Ligand name: 5-(7-Methanesulfonyl-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine
PDB ligand accession: MMD
DrugBank: DB13051
PubChem: 49784945
ChEMBL: CHEMBL1684984
InChI Key: JEGHXKRHKHPBJD-UHFFFAOYSA-N
SMILES: CS(=O)(=O)N1CCc2c1nc(nc2c3cnc(nc3)N)N4CCOCC4
Drug action: modulator

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
3APC	Download	Experimental	e3apcA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot