Ligand name: ALRESTATIN
PDB ligand accession: ALR
DrugBank: DB02020
PubChem: 2120
ChEMBL: CHEMBL63055
InChI Key: GCUCIFQCGJIRNT-UHFFFAOYSA-N
SMILES: c1cc2cccc3c2c(c1)C(=O)N(C3=O)CC(=O)O
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoquinolines and derivatives
      • Subclass: Isoquinolones and derivatives

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P15121

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1AZ1	Download	Experimental	e1az1A1	TIM beta/alpha-barrel	LigPlot