Ligand name: (2~{R})-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)amino]purin-2-yl]amino]butan-1-ol
PDB ligand accession: RV6
DrugBank: n/a
PubChem: 25053130
ChEMBL: CHEMBL518813
InChI Key: CWYPIRLIVVXCBY-QGZVFWFLSA-N
SMILES: CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3ccc(cc3)c4ccccn4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Phenylpyridines

List of PDB structures and/or AlphaFold models with target protein Q16531

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8BUI	Download	Experimental	e8buiA2 e8buiB1 e8buiD2 e8buiE1 e8buiG2 e8buiH1	beta-propeller-like Protein kinase/SAICAR synthase/ATP-grasp beta-propeller-like Protein kinase/SAICAR synthase/ATP-grasp beta-propeller-like Protein kinase/SAICAR synthase/ATP-grasp	LigPlot