Ligand name: 5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
PDB ligand accession: 53S
DrugBank: DB07141
PubChem: 44144378
ChEMBL: CHEMBL575218
InChI Key: QVXYJVHNRPNRJL-HNNXBMFYSA-N
SMILES: Cc1ccc(cc1)c2cc(cc(c2)OC)C(C)C#Cc3c(nc(nc3N)N)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 Q5A5E0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4H97	Download	Experimental	e4h97A1 e4h97B1	Dihydrofolate reductases Dihydrofolate reductases	LigPlot