Ligand name: 5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
PDB ligand accession: 53T
DrugBank: DB07142
PubChem: 44144379
ChEMBL: CHEMBL576960
InChI Key: ATFDKOLABYIYCC-INIZCTEOSA-N
SMILES: Cc1cc(cc(c1)c2cc(cc(c2)OC)C(C)C#Cc3c(nc(nc3N)N)C)C
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
3F0X	Download	Experimental	e3f0xX1	Dihydrofolate reductases	LigPlot
3F0S	Download	Experimental	e3f0sX1	Dihydrofolate reductases	LigPlot