Ligand name: (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylpropyl)phthalazin-2(1H)-yl]prop-2-en-1-one
PDB ligand accession: 52J
DrugBank: n/a
PubChem: 70699417
ChEMBL: n/a
InChI Key: ZISYTWICFLBNJQ-ZUTVHTERSA-N
SMILES: CC(C)CC1c2ccccc2C=NN1C(=O)C=Cc3cc(cc(c3OC)OC)Cc4cnc(nc4N)N
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
4ELG	Download	Experimental	e4elgA1 e4elgB1 e4elgC1 e4elgD1 e4elgE1 e4elgF1 e4elgG1 e4elgH1	Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases	LigPlot