Ligand name: 4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine
PDB ligand accession: 3NV
DrugBank: n/a
PubChem: 49800100
ChEMBL: CHEMBL1230170
InChI Key: ZGJLAVYYTJNBMN-UHFFFAOYSA-N
SMILES: CC(C)c1c(c([nH]n1)Cl)c2ccnc(n2)Nc3ccc(cn3)N4CCNCC4
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 Q00534

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3NUX	Download	Experimental	e3nuxA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot