Ligand name: 2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL
PDB ligand accession: P01
DrugBank: DB04751
PubChem: 456214
ChEMBL: CHEMBL23327
InChI Key: PMXCMJLOPOFPBT-HNNXBMFYSA-N
SMILES: CC(C)C(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cccc(c3)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Imidazopyrimidines
      • Subclass: Purines and purine derivatives

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P12931

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1YOM	Download	Experimental	e1yomA1 e1yomB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot