Ligand name: CAFFEINE
PDB ligand accession: CFF
DrugBank: DB00201
PubChem: 2519
ChEMBL: CHEMBL113
InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N
SMILES: Cn1cnc2c1C(=O)N(C(=O)N2C)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 P06737

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3DDW	Download	Experimental	e3ddwA1 e3ddwA2 e3ddwB1 e3ddwB2	UDP-Glycosyltransferase/glycogen phosphorylase UDP-Glycosyltransferase/glycogen phosphorylase UDP-Glycosyltransferase/glycogen phosphorylase UDP-Glycosyltransferase/glycogen phosphorylase	LigPlot
1L5Q	Download	Experimental	e1l5qA1 e1l5qA2 e1l5qB1 e1l5qB2	UDP-Glycosyltransferase/glycogen phosphorylase UDP-Glycosyltransferase/glycogen phosphorylase UDP-Glycosyltransferase/glycogen phosphorylase UDP-Glycosyltransferase/glycogen phosphorylase	LigPlot
1L7X	Download	Experimental	e1l7xA1 e1l7xA2 e1l7xB1 e1l7xB2	UDP-Glycosyltransferase/glycogen phosphorylase UDP-Glycosyltransferase/glycogen phosphorylase UDP-Glycosyltransferase/glycogen phosphorylase UDP-Glycosyltransferase/glycogen phosphorylase	LigPlot
3DDS	Download	Experimental	e3ddsA1 e3ddsA2 e3ddsB1 e3ddsB2	UDP-Glycosyltransferase/glycogen phosphorylase UDP-Glycosyltransferase/glycogen phosphorylase UDP-Glycosyltransferase/glycogen phosphorylase UDP-Glycosyltransferase/glycogen phosphorylase	LigPlot
3DD1	Download	Experimental	e3dd1A1 e3dd1A2 e3dd1B1 e3dd1B2	UDP-Glycosyltransferase/glycogen phosphorylase UDP-Glycosyltransferase/glycogen phosphorylase UDP-Glycosyltransferase/glycogen phosphorylase UDP-Glycosyltransferase/glycogen phosphorylase	LigPlot