Ligand name: 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
PDB ligand accession: 0WH
DrugBank: n/a
PubChem: 53469448
ChEMBL: CHEMBL2171124
InChI Key: SIXVRXARNAVBTC-UHFFFAOYSA-N
SMILES: Cn1cc(c2c1ncnc2N)c3ccc4c(c3)CCN4C(=O)Cc5cccc(c5)C(F)(F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: Phenylacetylindoles

List of PDB structures and/or AlphaFold models with target protein Q9NZJ5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4G31	Download	Experimental	e4g31A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot