Ligand name: 5-[(3S)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
PDB ligand accession: 11F
DrugBank: DB06847
PubChem: 25195365
ChEMBL: CHEMBL573306
InChI Key: YYCPXVRHQUEVAW-CQSZACIVSA-N
SMILES: Cc1c(c(nc(n1)N)N)C#CC(C)c2ccc(c(c2)OC)c3ccccc3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Biphenyls and derivatives

List of PDB structures and/or AlphaFold models with target protein Q2YY41

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3FQZ	Download	Experimental	e3fqzA1	Dihydrofolate reductases	LigPlot
3FQV	Download	Experimental	e3fqvA1	Dihydrofolate reductases	LigPlot