Ligand name: 5-[(3S)-3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
PDB ligand accession: 5WB
DrugBank: n/a
PubChem: 45482186
ChEMBL: CHEMBL573811
InChI Key: WGUCJULKGMTPOP-CYBMUJFWSA-N
SMILES: Cc1c(c(nc(n1)N)N)C#CC(c2cc(c(c(c2)OC)OC)OC)OC
Drug action: n/a

ClassyFire chemical classification:

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

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
3JWM	Download	Experimental	e3jwmA1 e3jwmB1	Dihydrofolate reductases Dihydrofolate reductases	LigPlot
3JWK	Download	Experimental	e3jwkA1 e3jwkB1	Dihydrofolate reductases Dihydrofolate reductases	LigPlot