Ligand name: 3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
PDB ligand accession: 793
DrugBank: DB07234
PubChem: 15295578
ChEMBL: CHEMBL466496
InChI Key: MCBPNFWHHNJTGN-LLVKDONJSA-N
SMILES: CC(c1ccccc1)NC2=C(C(=O)C2=O)Nc3ccncc3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Aminopyridines and derivatives

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P49137

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3FPM	Download	Experimental	e3fpmA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot