Ligand name: 6-ethyl-5-{3-[3-(pyrimidin-5-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine
PDB ligand accession: 25U
DrugBank: n/a
PubChem: 71737834
ChEMBL: CHEMBL3644523
InChI Key: UEZKDWYIIOOENX-UHFFFAOYSA-N
SMILES: CCc1c(c(nc(n1)N)N)C#CCc2cccc(c2)c3cncnc3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazines
      • Subclass: Pyrimidines and pyrimidine derivatives

List of PDB structures and/or AlphaFold models with target protein U5M636

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4OR7	Download	Experimental	e4or7A1	Dihydrofolate reductases	LigPlot