Ligand name: (1R)-3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol
PDB ligand accession: 5WA
DrugBank: n/a
PubChem: 45482199
ChEMBL: CHEMBL575626
InChI Key: MRGVCWULZNEIIL-LBPRGKRZSA-N
SMILES: Cc1c(c(nc(n1)N)N)C#CC(c2cc(c(c(c2)OC)OC)OC)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Phenol ethers
      • Subclass: Anisoles

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
3JWF	Download	Experimental	e3jwfA1 e3jwfB1	Dihydrofolate reductases Dihydrofolate reductases	LigPlot