Ligand name: 6-ethyl-5-[3-(4-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine
PDB ligand accession: 5DR
DrugBank: n/a
PubChem: 52949513
ChEMBL: CHEMBL1270533
InChI Key: LBQMRSNKEUNXMT-UHFFFAOYSA-N
SMILES: CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)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
3S9U	Download	Experimental	e3s9uA1 e3s9uB1	Dihydrofolate reductases Dihydrofolate reductases	LigPlot