Ligand name: N-(6-fluoro-2-methyl-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl)-1-benzothiophene-2-carboxamide
PDB ligand accession: 3YO
DrugBank: n/a
PubChem: 58540422
ChEMBL: CHEMBL3746293
InChI Key: MZSDTUIZKGUVHK-UHFFFAOYSA-N
SMILES: Cc1c(ccc(c1NC(=O)c2cc3ccccc3s2)F)C4=NNC(=O)C(=C4)Nc5cc6n(n5)CCN(C6)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzothiophenes
      • Subclass: 1-benzothiophenes

List of PDB structures and/or AlphaFold models with target protein Q06187

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4RX5	Download	Experimental	e4rx5A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot