Ligand name: 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
PDB ligand accession: JEA
DrugBank: n/a
PubChem: 124147932
ChEMBL: CHEMBL4439006
InChI Key: URUPFUYPXLMTMT-KPZWWZAWSA-N
SMILES: CC1C(C2(CCN(CC2)C3=Nc4c(c([nH]n4)c5ccnc(c5Cl)NC6CC6)C(=O)N3C)CO1)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azaspirodecane derivatives
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q06124

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6MDC	Download	Experimental	e6mdcA1 e6mdcA2 e6mdcA3 e6mdcB1 e6mdcB2 e6mdcB3	SH2 Flavodoxin-like SH2 Flavodoxin-like SH2 SH2	LigPlot