Ligand name: 5-(3,4-dimethoxy-5-{(1E)-3-oxo-3-[(1S)-1-propylphthalazin-2(1H)-yl]prop-1-en-1-yl}benzyl)pyrimidine-2,4-diamine
PDB ligand accession: RAR
DrugBank: n/a
PubChem: 42627761
ChEMBL: CHEMBL1235617
InChI Key: YGDVMSPWZQHNMB-NEQMZLFVSA-N
SMILES: CCCC1c2ccccc2C=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
3FL8	Download	Experimental	e3fl8A1 e3fl8B1 e3fl8C1 e3fl8D1 e3fl8E1 e3fl8F1 e3fl8G1 e3fl8H1	Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases	LigPlot