Ligand name: 3-[4-(aminomethyl)phenyl]-2-methyl-6-[[4-oxidanyl-1-[(3~{R})-4,4,4-tris(fluoranyl)-3-phenyl-butanoyl]piperidin-4-yl]methyl]pyrazolo[4,3-d]pyrimidin-7-one
PDB ligand accession: 8QQ
DrugBank: n/a
PubChem: 131750088
ChEMBL: CHEMBL4283787
InChI Key: RLPQYKGBXQQARM-JOCHJYFZSA-N
SMILES: Cn1c(c2c(n1)C(=O)N(C=N2)CC3(CCN(CC3)C(=O)CC(c4ccccc4)C(F)(F)F)O)c5ccc(cc5)CN
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
5N9T	Download	Experimental	e5n9tA1 e5n9tB1	Cysteine proteinases-like Cysteine proteinases-like	LigPlot