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 P03369

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3EKX	Download	Experimental	e3ekxA1 e3ekxB1	cradle loop barrel cradle loop barrel	LigPlot
3EL5	Download	Experimental	e3el5A1 e3el5B1	cradle loop barrel cradle loop barrel	LigPlot
3EL0	Download	Experimental	e3el0A1 e3el0B1	cradle loop barrel cradle loop barrel	LigPlot