Ligand name: (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(3-sulfamoylbenzyl)ethanamide
PDB ligand accession: 2KE
DrugBank: n/a
PubChem: 58788975
ChEMBL: n/a
InChI Key: SPHDBMSKHYVTNQ-HHHXNRCGSA-N
SMILES: CCOc1cc(ccc1OC(C)C)C(C(=O)NCc2cccc(c2)S(=O)(=O)N)Nc3ccc4c(c3)ccnc4N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein P08709

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4NG9	Download	Experimental	e4ng9H1	cradle loop barrel	LigPlot