Ligand name: (3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one
PDB ligand accession: VBS
DrugBank: n/a
PubChem: 131964682
ChEMBL: CHEMBL4744546
InChI Key: FFRRAJYYORCXFZ-NDEPHWFRSA-N
SMILES: CCn1c2c(c(ncn2)c3ccc4c(c3)C(C(=O)N4)(C)Cc5ccccc5)nc1c6cnc(nc6)C
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 P42336

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7JIU	Download	Experimental	e7jiuA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot