Ligand name: tert-butyl 6-((2-chloro-4-(dimethylcarbamoyl)phenyl)amino)-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate
PDB ligand accession: 7RO
DrugBank: n/a
PubChem: 68310278
ChEMBL: CHEMBL3109933
InChI Key: KYBALIQJYSWGLI-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)n1c2cc(ncc2cc1c3cnn(c3)C)Nc4ccc(cc4Cl)C(=O)N(C)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein P33981

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5AP5	Download	Experimental	e5ap5A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4C4G	Download	Experimental	e4c4gA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4C4H	Download	Experimental	e4c4hA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot