Ligand name: [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID
PDB ligand accession: S91
DrugBank: DB08513
PubChem: 24871491
ChEMBL: n/a
InChI Key: PAIQRYUOBBCBSE-UHFFFAOYSA-N
SMILES: Cc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)CC(=O)O)C(=O)N
Drug action: n/a

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P06213

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2Z8C	Download	Experimental	e2z8cA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot