Ligand name: [(1~{R},2~{R},3~{S},4~{R})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate
PDB ligand accession: 61T
DrugBank: DB15013
PubChem: 71715374
ChEMBL: CHEMBL4297405
InChI Key: KJDAGXLMHXUAGV-DGWLBADLSA-N
SMILES: c1cc(cc(c1)SC(F)(F)F)c2cc3nccc(n3n2)NC4CC(C(C4O)O)COS(=O)(=O)N
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 P05759

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5L6J	Download	Experimental	e5l6jA2 e5l6jB1 e5l6jC6 e5l6jD1	Rossmann-like beta-Grasp Rossmann-like beta-Grasp	LigPlot