Ligand name: 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[2,6-di(propan-2-yl)pyridin-4-yl]amino]pyrimidine-5-carboxamide
PDB ligand accession: M92
DrugBank: n/a
PubChem: 145946080
ChEMBL: CHEMBL4635883
InChI Key: BWBUPDTUXQDHSX-AWEZNQCLSA-N
SMILES: CC(C)c1cc(cc(n1)C(C)C)Nc2c(cnc(n2)N3CCCC(C3)N)C(=O)N
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 Q8IU85

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6T28	Download	Experimental	e6t28AAA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot