Ligand name: 6-[(4-methoxybenzyl)sulfanyl]pyrimidine-2,4-diamine
PDB ligand accession: AX6
DrugBank: n/a
PubChem: 25113144
ChEMBL: CHEMBL577502
InChI Key: SMBANLHZRGNZKV-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)CSc2cc(nc(n2)N)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Phenol ethers
      • Subclass: Anisoles

List of PDB structures and/or AlphaFold models with target protein Q581W1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3JQG	Download	Experimental	e3jqgA1 e3jqgB1 e3jqgC1 e3jqgD1	Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot