Ligand name: R-ROSCOVITINE
PDB ligand accession: RRC
DrugBank: DB06195
PubChem: 160355
ChEMBL: CHEMBL14762
InChI Key: BTIHMVBBUGXLCJ-OAHLLOKOSA-N
SMILES: CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q9NYV4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8BU9	Download	Experimental	e8bu9A1 e8bu9B1 e8bu9D3 e8bu9E1 e8bu9G2 e8bu9H1	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