Ligand name: 6-ethyl-5-{3-[3-(isoquinolin-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine
PDB ligand accession: 1R0
DrugBank: n/a
PubChem: 71560296
ChEMBL: CHEMBL2335420
InChI Key: IZQBFFXMDOOSIE-UHFFFAOYSA-N
SMILES: CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3cccc4c3ccnc4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoquinolines and derivatives
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P00374

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4KFJ	Download	Experimental	e4kfjA1	Dihydrofolate reductases	LigPlot