Ligand name: [(1S,2S,4R)-4-{4-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-2-hydroxycyclopentyl]methyl sulfamate
PDB ligand accession: B39
DrugBank: DB11759
PubChem: 16720766
ChEMBL: CHEMBL1231160
InChI Key: MPUQHZXIXSTTDU-QXGSTGNESA-N
SMILES: c1ccc2c(c1)CCC2Nc3c4ccn(c4ncn3)C5CC(C(C5)O)COS(=O)(=O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Indanes
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P05759

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5L6I	Download	Experimental	e5l6iA3 e5l6iB1 e5l6iC6 e5l6iD1	Rossmann-like beta-Grasp Rossmann-like beta-Grasp	LigPlot