Ligand name: 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide
PDB ligand accession: M8Z
DrugBank: n/a
PubChem: 145946079
ChEMBL: CHEMBL4640712
InChI Key: RJTDRNOTQRMDCY-KRWDZBQOSA-N
SMILES: CC(C)(C#N)c1cc(cc(c1)Nc2c(cnc(n2)N3CCCC(C3)N)C(=O)N)C(C)(C)C#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
6T29	Download	Experimental	e6t29AAA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot