Ligand name: 1-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide
PDB ligand accession: 3ST
DrugBank: n/a
PubChem: 4860011
ChEMBL: CHEMBL3416554
InChI Key: IOCDTSBNIYANHP-UHFFFAOYSA-N
SMILES: CC(C)CCn1c(nc2c1C(=O)N(C(=O)N2C)C)CN3CCC(CC3)C(=O)N
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 P00352

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4WPN	Download	Experimental	e4wpnA1 e4wpnA2	ALDH-like ALDH-like	LigPlot