Ligand name: 6-ethyl-5-{(3S)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
PDB ligand accession: 06W
DrugBank: n/a
PubChem: 56684135
ChEMBL: CHEMBL5284400
InChI Key: KEPLBUUTAQCZOE-CQSZACIVSA-N
SMILES: CCc1c(c(nc(n1)N)N)C#CC(C)c2cc(cc(c2)OC)c3ccncc3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Phenylpyridines

List of PDB structures and/or AlphaFold models with target protein P0A017

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3SGY	Download	Experimental	e3sgyA1 e3sgyB1	Dihydrofolate reductases Dihydrofolate reductases	LigPlot