Ligand name: 1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-O-{5-O-[(S)-{[(1S)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol
PDB ligand accession: E4M
DrugBank: n/a
PubChem: 440298;5280668;135398703;
ChEMBL: n/a
InChI Key: RANKJVUGLXUXOL-CAFBYHECSA-O
SMILES: CC1C2C(N(C=[N+]2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)CC(C(C(COC5C(C(C(O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Carbohydrates and carbohydrate conjugates

List of PDB structures and/or AlphaFold models with target protein Q58734

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6HUX	Download	Experimental	e6huxA1 e6huxA2	Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like	LigPlot