Ligand name: (2R,3S,5R)-2-(2,5-difluorophenyl)-5-(7H-pyrrolo[3',4':3,4]pyrazolo[1,5-a]pyrimidin-8(9H)-yl)oxan-3-amine
PDB ligand accession: 6DG
DrugBank: n/a
PubChem: 24951732
ChEMBL: CHEMBL3806216
InChI Key: CEOQJSZJQDMDFU-PZPSRYQVSA-N
SMILES: c1cnc2c3c(nn2c1)CN(C3)C4CC(C(OC4)c5cc(ccc5F)F)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrazolopyrimidines
      • Subclass: Pyrazolo[1,5-a]pyrimidines

List of PDB structures and/or AlphaFold models with target protein P27487

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5ISM	Download	Experimental	e5ismA2 e5ismA3 e5ismB1 e5ismB2	beta-propeller-like alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases	LigPlot