Ligand name: 1-[(2R)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile
PDB ligand accession: 6E6
DrugBank: n/a
PubChem: 90453183
ChEMBL: CHEMBL3780415
InChI Key: KCTFIWDZXROTJT-HXUWFJFHSA-N
SMILES: c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n2CC(CO)O)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
5DB0	Download	Experimental	e5db0A1 e5db0A2	Cysteine proteinases-like Repetitive alpha hairpins	LigPlot