Ligand name: 6-ethyl-5-[3-(5-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine
PDB ligand accession: 7DR
DrugBank: n/a
PubChem: 49788718
ChEMBL: CHEMBL1270633
InChI Key: QKLZHVMWTSBUFL-UHFFFAOYSA-N
SMILES: CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccccc3
Drug action: n/a

ClassyFire chemical classification:

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

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
3SA2	Download	Experimental	e3sa2A1 e3sa2B1	Dihydrofolate reductases Dihydrofolate reductases	LigPlot