Ligand name: [2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid
PDB ligand accession: AO8
DrugBank: n/a
PubChem: 137348934
ChEMBL: n/a
InChI Key: KGPSPJNLVIXNTL-UHFFFAOYSA-N
SMILES: B(c1ccccc1CNCCNS(=O)(=O)c2cccc3c2ccnc3)(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
6I2H	Download	Experimental	e6i2hA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5OUC	Download	Experimental	e5oucA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5OTG	Download	Experimental	e5otgA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot