Ligand name: 2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{N}-methyl-benzamide
PDB ligand accession: EUW
DrugBank: n/a
PubChem: 138105939
ChEMBL: n/a
InChI Key: DZXHGBLWWMPIRK-UHFFFAOYSA-N
SMILES: CCC(=O)NCCNC1=C(C(=O)C1=O)NCc2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4C(=O)NC)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein Q00944

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6GCX	Download	Experimental	e6gcxA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
6GCR	Download	Experimental	e6gcrA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot