Ligand name: N-[(2R)-1,4-dioxan-2-ylmethyl]-N-methyl-N'-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}sulfuric diamide
PDB ligand accession: M61
DrugBank: n/a
PubChem: 56593141
ChEMBL: CHEMBL1802917
InChI Key: IVWIPVHBADPMSP-XMMPIXPASA-N
SMILES: CN(CC1COCCO1)S(=O)(=O)Nc2ccc3c(c2)C(=O)c4cc(cnc4C=C3)c5cnn(c5)C6CCNCC6
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Pyrazolylpyridines

List of PDB structures and/or AlphaFold models with target protein P08581

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3R7O	Download	Experimental	e3r7oA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot