Ligand name: N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE
PDB ligand accession: UN9
DrugBank: DB08687
PubChem: 6914666
ChEMBL: CHEMBL426560
InChI Key: OUQVKRKGTAUJQA-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)c(c(nc2Cl)C(=O)NCC(=O)O)O
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 drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein Q9GZT9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4UWD	Download	Experimental	e4uwdA1	jelly-roll	LigPlot
2Y33	Download	Experimental	e2y33A1	jelly-roll	LigPlot
6YW2	Download	Experimental	e6yw2A1	jelly-roll	LigPlot
5LBC	Download	Experimental	e5lbcA1	jelly-roll	LigPlot
2HBU	Download	Experimental	e2hbuA1	jelly-roll	LigPlot
5LBF	Download	Experimental	e5lbfA1	jelly-roll	LigPlot
3HQU	Download	Experimental	e3hquA1	jelly-roll	LigPlot
5LB6	Download	Experimental	e5lb6A1	jelly-roll	LigPlot
5LBE	Download	Experimental	e5lbeA1	jelly-roll	LigPlot
2Y34	Download	Experimental	e2y34A1	jelly-roll	LigPlot
2HBT	Download	Experimental	e2hbtA2	jelly-roll	LigPlot
4BQX	Download	Experimental	e4bqxA1	jelly-roll	LigPlot
5LBB	Download	Experimental	e5lbbA1	jelly-roll	LigPlot
5LAT	Download	Experimental	e5latA1	jelly-roll	LigPlot