Ligand name: 6-ethyl-5-{(3S)-3-[3-(isoquinolin-5-yl)-5-methoxyphenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
PDB ligand accession: 1QZ
DrugBank: n/a
PubChem: 71737835
ChEMBL: n/a
InChI Key: MGLLCDAARSVGLO-MRXNPFEDSA-N
SMILES: CCc1c(c(nc(n1)N)N)C#CC(C)c2cc(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
4KEB	Download	Experimental	e4kebA1	Dihydrofolate reductases	LigPlot