Ligand name: 1-METHYL-5-(2-{[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO}PYRIMIDIN-4-YL)-1H-PYRROLE-3-CARBOXAMIDE
PDB ligand accession: 939
DrugBank: n/a
PubChem: 54759168
ChEMBL: CHEMBL1933576
InChI Key: HGBZKLOZYQAERY-UHFFFAOYSA-N
SMILES: Cn1cc(cc1c2ccnc(n2)Nc3cc(ccc3OC(F)(F)F)N4CCN(CC4)C)C(=O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of PDB structures and/or AlphaFold models with target protein P53350

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4A4L	Download	Experimental	e4a4lA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot