Ligand name: [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid
PDB ligand accession: 9LQ
DrugBank: n/a
PubChem: 134159758
ChEMBL: n/a
InChI Key: QFOWOOVTQLNTIX-UHFFFAOYSA-N
SMILES: B(c1ccccc1CN2CCCN(CC2)S(=O)(=O)c3cccc4c3ccnc4)(O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoquinolines and derivatives
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P25321

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5OL3	Download	Experimental	e5ol3A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
6EGW	Download	Experimental	e6egwA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5OT3	Download	Experimental	e5ot3A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
6I2B	Download	Experimental	e6i2bA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5O5M	Download	Experimental	e5o5mA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
6I2D	Download	Experimental	e6i2dA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot