Ligand name: 4-{[2-({4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}amino)-5-fluoropyrimidin-4-yl]amino}-N-(2-chlorophenyl)benzamide
PDB ligand accession: 45B
DrugBank: n/a
PubChem: 42628077
ChEMBL: CHEMBL508307
InChI Key: GAAHSFKFIMENOG-UHFFFAOYSA-N
SMILES: CC(=O)N1CCN(CC1)C(=O)Cc2ccc(cc2)Nc3ncc(c(n3)Nc4ccc(cc4)C(=O)Nc5ccccc5Cl)F
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein O14965

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3H0Z	Download	Experimental	e3h0zA1 e3h0zB1 e3h0zC1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot