Ligand name: 5-{3-[3-(1,3-benzodioxol-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine
PDB ligand accession: 14Q
DrugBank: n/a
PubChem: 71296042
ChEMBL: n/a
InChI Key: DEWBMLVREOXAJX-UHFFFAOYSA-N
SMILES: CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccc4c(c3)OCO4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzodioxoles
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q5A5E0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4H96	Download	Experimental	e4h96A1 e4h96B1	Dihydrofolate reductases Dihydrofolate reductases	LigPlot