Ligand name: 1-[2-chloranyl-7-[(1~{S})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloranyl-6-pyrrolidin-1-ylcarbonyl-pyridin-3-yl)urea
PDB ligand accession: CW5
DrugBank: n/a
PubChem: 129117094
ChEMBL: CHEMBL5078790
InChI Key: OJTGJRAKRGEDPI-NSHDSACASA-N
SMILES: CC(c1c(cnc2n1nc(c2)Cl)NC(=O)Nc3cc(c(nc3)C(=O)N4CCCC4)Cl)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
6F7I	Download	Experimental	e6f7iA1 e6f7iA2 e6f7iB1 e6f7iB2	Immunoglobulin-like beta-sandwich Caspase-like Immunoglobulin-like beta-sandwich Caspase-like	LigPlot