Ligand name: N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE
PDB ligand accession: ZIP
DrugBank: DB08768
PubChem: 92180
ChEMBL: CHEMBL476189
InChI Key: HYVABZIGRDEKCD-UHFFFAOYSA-N
SMILES: CC(=CCNc1c2c([nH]cn2)ncn1)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 Q9T0N8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3S1E	Download	Experimental	e3s1eA3 e3s1eA4	FAD-binding domain-like Alpha-beta plaits	LigPlot
1W1Q	Download	Experimental	e1w1qA1 e1w1qA2	Alpha-beta plaits FAD-binding domain-like	LigPlot
3S1F	Download	Experimental	e3s1fA3 e3s1fA4	FAD-binding domain-like Alpha-beta plaits	LigPlot