Ligand name: 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
PDB ligand accession: 06U
DrugBank: n/a
PubChem: 56955942
ChEMBL: CHEMBL4483572
InChI Key: KEPLBUUTAQCZOE-AWEZNQCLSA-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
4XE6	Download	Experimental	e4xe6X1	Dihydrofolate reductases	LigPlot
4XEC	Download	Experimental	e4xecX1	Dihydrofolate reductases	LigPlot
7T7S	Download	Experimental	e7t7sX1	Dihydrofolate reductases	LigPlot
7T7Q	Download	Experimental	e7t7qX1	Dihydrofolate reductases	LigPlot