Ligand name: 2-{2-cyano-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indol-1-yl}aceta mide
PDB ligand accession: 58R
DrugBank: n/a
PubChem: 90404695
ChEMBL: CHEMBL3781863
InChI Key: QILXUBJKJXLPJR-UHFFFAOYSA-N
SMILES: c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n2CC(=O)N)C#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: N-alkylindoles

List of PDB structures and/or AlphaFold models with target protein O00255

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5DB2	Download	Experimental	e5db2A1 e5db2A2	Repetitive alpha hairpins Cysteine proteinases-like	LigPlot