Ligand name: N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide
PDB ligand accession: BX7
DrugBank: n/a
PubChem: 10077147
ChEMBL: CHEMBL577784
InChI Key: VAVXGGRQQJZYBL-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)NC(=O)N2CCCC2)Nc3ncc(c(n3)NCCCNC(=O)c4cccs4)I
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: N-phenylureas

List of PDB structures and/or AlphaFold models with target protein Q9WUN2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4JL9	Download	Experimental	e4jl9A2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
6O8C	Download	Experimental	e6o8cA3 e6o8cB3	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot