Ligand name: 4-[3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine
PDB ligand accession: 3NU
DrugBank: n/a
PubChem: 49800099
ChEMBL: CHEMBL1230169
InChI Key: YVKZWLZGQQCODL-UHFFFAOYSA-N
SMILES: CC(C)c1c(c[nH]n1)c2ccnc(n2)NC3CCN(CC3)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazines
      • Subclass: Pyrimidines and pyrimidine derivatives

List of PDB structures and/or AlphaFold models with target protein Q00534

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3NUP	Download	Experimental	e3nupA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot