Ligand name: N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide
PDB ligand accession: 3K6
DrugBank: n/a
PubChem: 86306050
ChEMBL: CHEMBL3355071
InChI Key: UGAYOLUDSWRLMK-OAHLLOKOSA-N
SMILES: CC1Cn2c(c(cn2)c3ccc(cc3)S(=O)(=O)N(C)C)CN1c4ccnc5c4cc[nH]5
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 P42336

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4WAF	Download	Experimental	e4wafA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5UKJ	Download	Experimental	e5ukjA5	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot