Ligand name: 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine
PDB ligand accession: N22
DrugBank: DB08234
PubChem: 25058133
ChEMBL: CHEMBL485961
InChI Key: NNFDQABYXZBKRK-UHFFFAOYSA-N
SMILES: CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Methoxybenzenes

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
3E0B	Download	Experimental	e3e0bA1 e3e0bB1	Dihydrofolate reductases Dihydrofolate reductases	LigPlot
2KGK	Download	Experimental	e2kgkA1	Dihydrofolate reductases	LigPlot