Ligand name: 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PDB ligand accession: DIH
DrugBank: DB03551
PubChem: 44629480;135927341;
ChEMBL: n/a
InChI Key: AFNHHLILYQEHKK-BDAKNGLRSA-O
SMILES: c1c(c2c([nH]1)C(=O)NC=N2)C[NH+]3CC(C(C3)O)CO
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolopyrimidines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein A4Q998

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2P4S	Download	Experimental	e2p4sA1 e2p4sC1 e2p4sA1 e2p4sB1 e2p4sB1 e2p4sC1	Phosphorylase/hydrolase-like Phosphorylase/hydrolase-like Phosphorylase/hydrolase-like Phosphorylase/hydrolase-like Phosphorylase/hydrolase-like Phosphorylase/hydrolase-like	LigPlot