Ligand name: 3-(4-HYDROXYBENZYL)-2-[1-({[2-(4-HYDROXYPHENYL)ETHYL]AMINO}CARBONYL)BUTYL]-4-OXO-3,6,11,11A-TETRAHYDRO-4H-PYRAZINO[1,2-B]ISOQUINOLIN-2-IUM-1-OLATE
PDB ligand accession: OI1
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: GSRXSLSGKZHATI-AWCRTANDSA-N
SMILES: CCCC(C(=O)NCCc1ccc(cc1)O)[N+]2=C(C3Cc4ccccc4CN3C(=O)C2Cc5ccc(cc5)O)[O-]
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Tetrahydroisoquinolines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P00636

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1Q9D	Download	Experimental	e1q9dA1 e1q9dB1	a+b domain in carbohydrate phosphatases a+b domain in carbohydrate phosphatases	LigPlot