Ligand name: 5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
PDB ligand accession: 53R
DrugBank: DB07140
PubChem: 25093369
ChEMBL: CHEMBL459177
InChI Key: JPENSYBRTSIYGO-AWEZNQCLSA-N
SMILES: Cc1c(c(nc(n1)N)N)C#CC(C)c2cc(cc(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
3F0U	Download	Experimental	e3f0uX1	Dihydrofolate reductases	LigPlot
3F0B	Download	Experimental	e3f0bX1	Dihydrofolate reductases	LigPlot