Ligand name: 5-[(3S)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
PDB ligand accession: 52V
DrugBank: n/a
PubChem: 44223989
ChEMBL: CHEMBL576976
InChI Key: XZXVRKHUCSXVBM-CQSZACIVSA-N
SMILES: Cc1cccc(c1c2cc(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 P0A017

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3LG4	Download	Experimental	e3lg4A1 e3lg4B1	Dihydrofolate reductases Dihydrofolate reductases	LigPlot