Ligand name: ADENINE
PDB ligand accession: ADE
DrugBank: DB00173
PubChem: 190
ChEMBL: CHEMBL226345
InChI Key: GFFGJBXGBJISGV-UHFFFAOYSA-N
SMILES: c1[nH]c2c(n1)c(ncn2)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 A1R3U3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3RYS	Download	Experimental	e3rysA1 e3rysB1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot