Ligand name: 6-ethyl-5-{3-[2-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine
PDB ligand accession: 6DR
DrugBank: n/a
PubChem: 57149549
ChEMBL: CHEMBL3526249
InChI Key: CZCHMGRCEXJPTP-UHFFFAOYSA-N
SMILES: CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)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 A4GRC7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5ECC	Download	Experimental	e5eccA1 e5eccB1	Dihydrofolate reductases Dihydrofolate reductases	LigPlot