Ligand name: 6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-~{N}-(oxan-4-yl)-1-propan-2-yl-pyrrolo[3,2-c]pyridine-3-carboxamide
PDB ligand accession: 60D
DrugBank: n/a
PubChem: 118668055
ChEMBL: CHEMBL5279275
InChI Key: DJHWPKSBDIEQGY-UHFFFAOYSA-N
SMILES: CC(C)n1cc(c2c1cc(nc2)Nc3ccnc(n3)c4cnn(c4)S(=O)(=O)C5CC5)C(=O)NC6CCOCC6
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolopyridines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P00533

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5HCY	Download	Experimental	e5hcyA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot