Ligand name: 5-[[1-[(3~{S})-4,4-bis(fluoranyl)-3-(3-fluoranylpyrazol-1-yl)butanoyl]-4-oxidanyl-piperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-one
PDB ligand accession: 8WK
DrugBank: n/a
PubChem: 121457027
ChEMBL: CHEMBL4759513
InChI Key: BLSNYSFLZAWBIV-SFHVURJKSA-N
SMILES: c1cc(ccc1n2c3c(cn2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)CC(C(F)F)n5ccc(n5)F)O)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azoles
      • Subclass: Pyrazoles

List of PDB structures and/or AlphaFold models with target protein Q93009

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5NGE	Download	Experimental	e5ngeA1 e5ngeB1	Cysteine proteinases-like Cysteine proteinases-like	LigPlot