Ligand name: (2~{R})-2-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
PDB ligand accession: RNF
DrugBank: n/a
PubChem: 10137573
ChEMBL: CHEMBL461557
InChI Key: BRJSFOFBYVFKCP-OAQYLSRUSA-N
SMILES: CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccc(cc3)c4ccccc4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Biphenyls and derivatives

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
8BUN	Download	Experimental	e8bunA2 e8bunB1 e8bunD3 e8bunE1 e8bunG2 e8bunH1	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