Ligand name: (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-y l]prop-2-en-1-one
PDB ligand accession: 53J
DrugBank: n/a
PubChem: 137348309
ChEMBL: n/a
InChI Key: LEKSMFBSZBQJBZ-ZUTVHTERSA-N
SMILES: CC(=CC1c2ccccc2C=NN1C(=O)C=Cc3cc(cc(c3OC)OC)Cc4cnc(nc4N)N)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Cinnamic acids and derivatives
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q81R22

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4ELH	Download	Experimental	e4elhD1	Dihydrofolate reductases	LigPlot