Ligand name: 5-[4-(DIMETHYLAMINO)PHENYL]-6-[(6-MORPHOLIN-4-YLPYRIDIN-3-YL)ETHYNYL]PYRIMIDIN-4-AMINE
PDB ligand accession: 89I
DrugBank: DB07280
PubChem: 11987868
ChEMBL: CHEMBL216697
InChI Key: AINVOEOJEKKMKB-UHFFFAOYSA-N
SMILES: CN(C)c1ccc(cc1)c2c(ncnc2N)C#Cc3ccc(nc3)N4CCOCC4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic nitrogen compounds
    • Class: Organonitrogen compounds
      • Subclass: Amines

List of PDB structures and/or AlphaFold models with target protein Q5VXR3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2I6B	Download	Experimental	e2i6bA1 e2i6bB1	Rossmann-like Rossmann-like	LigPlot