Ligand name: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE
PDB ligand accession: 1UN
DrugBank: DB00220
PubChem: 64143
ChEMBL: CHEMBL584
InChI Key: QAGYKUNXZHXKMR-HKWSIXNMSA-N
SMILES: Cc1c(cccc1O)C(=O)NC(CSc2ccccc2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)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 PDB structures and/or AlphaFold models with target protein P03367

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2PYN	Download	Experimental	e2pynA1 e2pynB1	cradle loop barrel cradle loop barrel	LigPlot
2QAK	Download	Experimental	e2qakA1 e2qakB1	cradle loop barrel cradle loop barrel	LigPlot
2Q64	Download	Experimental	e2q64A1 e2q64B1	cradle loop barrel cradle loop barrel	LigPlot
2Q63	Download	Experimental	e2q63A1 e2q63B1	cradle loop barrel cradle loop barrel	LigPlot
2PYM	Download	Experimental	e2pymA1 e2pymB1	cradle loop barrel cradle loop barrel	LigPlot