Ligand name: 1-(4-{methyl[2-({4-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]amino}phenyl)-3-{3-[(4-methylpiperazin-1-yl)carbonyl]phenyl}urea
PDB ligand accession: GW8
DrugBank: n/a
PubChem: 56932129
ChEMBL: CHEMBL5395335
InChI Key: HKWWFBIVSCKLOB-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)C(=O)c2cccc(c2)NC(=O)Nc3ccc(cc3)N(C)c4ccnc(n4)Nc5ccc(cc5)CS(=O)(=O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic nitrogen compounds
    • Class: Organonitrogen compounds
      • Subclass: Amines

List of PDB structures and/or AlphaFold models with target protein O94804

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4AOT	Download	Experimental	e4aotA1 e4aotB2	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot