Ligand name: 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE
PDB ligand accession: 65B
DrugBank: DB06414
PubChem: 193962
ChEMBL: CHEMBL308954
InChI Key: PYGWGZALEOIKDF-UHFFFAOYSA-N
SMILES: Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)N)Br)C)C#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Ethers

List of PDB structures and/or AlphaFold models with target protein P04585

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3MEC	Download	Experimental	e3mecA5 e3mecA8 e3mecB2	Ribonuclease H-like Alpha-beta plaits Alpha-beta plaits	LigPlot
3MED	Download	Experimental	e3medA5 e3medA8 e3medB2	Ribonuclease H-like Alpha-beta plaits Alpha-beta plaits	LigPlot
3M8P	Download	Experimental	e3m8pA5 e3m8pA8 e3m8pB2	Ribonuclease H-like Alpha-beta plaits Alpha-beta plaits	LigPlot