Ligand name: 6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine
PDB ligand accession: EKB
DrugBank: n/a
PubChem: 25138225
ChEMBL: CHEMBL485959
InChI Key: VPNXKXUNASBBLU-UHFFFAOYSA-N
SMILES: CCc1c(c(nc(n1)N)N)C#CCc2cc(c(c(c2)OC)OC)OC
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
3JWC	Download	Experimental	e3jwcA1 e3jwcB1	Dihydrofolate reductases Dihydrofolate reductases	LigPlot
3JVX	Download	Experimental	e3jvxA1 e3jvxB1	Dihydrofolate reductases Dihydrofolate reductases	LigPlot