Ligand name: 4-azanyl-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one
PDB ligand accession: 9JR
DrugBank: DB12687
PubChem: 46241268
ChEMBL: CHEMBL2424780
InChI Key: VFOKSTCIRGDTBR-UHFFFAOYSA-N
SMILES: CCCCOc1nc(c2c(n1)N(CC(=O)N2)Cc3cccc(c3)CN4CCCC4)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pteridines and derivatives
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein B3Y653

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5ZSJ	Download	Experimental	e5zsjA2 e5zsjB1 e5zsjA1 e5zsjB2	Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix	LigPlot