Ligand name: 2-fluoro-4-{[(1R)-1-methyl-6-{[(2S)-oxan-2-yl]methoxy}-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid
PDB ligand accession: PVJ
DrugBank: n/a
PubChem: 139592544
ChEMBL: n/a
InChI Key: VYXFBZAJVWTJQP-HMILPKGGSA-N
SMILES: CC1(c2cc(c(cc2CCN1)OCC3CCCCO3)Oc4ccc(c(c4)F)C(=O)O)CC(=O)Nc5nccs5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Ethers

List of PDB structures and/or AlphaFold models with target protein Q8NBP7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6U38	Download	Experimental	e6u38B2 e6u38B3	Subtilisin-like Resistin	LigPlot