Ligand name: ~{N}-[(1~{S})-1-[4-[[2-chloranyl-7-[(1~{S})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]amino]phenyl]-2,2,2-tris(fluoranyl)ethyl]-~{N}-methyl-1,1-bis(oxidanylidene)thiane-4-carboxamide
PDB ligand accession: QYQ
DrugBank: n/a
PubChem: 155560620
ChEMBL: CHEMBL4568735
InChI Key: NVGROBHDOYRPAN-FPTDNZKUSA-N
SMILES: CC(c1c(cnc2n1nc(c2)Cl)Nc3ccc(cc3)C(C(F)(F)F)N(C)C(=O)C4CCS(=O)(=O)CC4)OC
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 Q9UDY8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7A41	Download	Experimental	e7a41A1 e7a41A2 e7a41B1 e7a41B2	Immunoglobulin-like beta-sandwich Caspase-like Caspase-like Immunoglobulin-like beta-sandwich	LigPlot