Ligand name: 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea
PDB ligand accession: VSA
DrugBank: n/a
PubChem: 71305029
ChEMBL: n/a
InChI Key: WFPSCBQARGWGBI-UHFFFAOYSA-N
SMILES: c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrroles
      • Subclass: Substituted pyrroles

List of PDB structures and/or AlphaFold models with target protein P08631

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3VS1	Download	Experimental	e3vs1A4 e3vs1B3	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot