Ligand name: 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine
PDB ligand accession: 55V
DrugBank: DB07153
PubChem: 25187896
ChEMBL: CHEMBL1230365
InChI Key: FJNFXXGWYVMQNA-UHFFFAOYSA-N
SMILES: Cc1c(c(nc(n1)N)N)C#CC(C)(C)c2cc(c(c(c2)OC)OC)OC
Drug action: n/a

ClassyFire chemical classification:

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

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
3QLS	Download	Experimental	e3qlsA1 e3qlsB1	Dihydrofolate reductases Dihydrofolate reductases	LigPlot