Ligand name: 6-ethyl-5-[(3~{S})-3-(6-pyridin-4-yl-1,3-benzodioxol-4-yl)but-1-ynyl]pyrimidine-2,4-diamine
PDB ligand accession: 5N1
DrugBank: n/a
PubChem: 119025601
ChEMBL: n/a
InChI Key: NRVDPWMGAWNSHR-ZDUSSCGKSA-N
SMILES: CCc1c(c(nc(n1)N)N)C#CC(C)c2cc(cc3c2OCO3)c4ccncc4
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 A4GRC7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5ECX	Download	Experimental	e5ecxA1 e5ecxB1	Dihydrofolate reductases Dihydrofolate reductases	LigPlot