Ligand name: (3S,4S)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
PDB ligand accession: K5P
DrugBank: n/a
PubChem: 135393514
ChEMBL: CHEMBL4444823
InChI Key: VLZBEPGIJKIYGT-BJKOFHAPSA-N
SMILES: CC(C)(C)c1ccc(cc1)N2C(C(c3ccccc3C2=O)C(=O)O)c4ccc(cc4)OC
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q86WV6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6MX3	Download	Experimental	e6mx3A1 e6mx3B1	STING C-terminal domain STING C-terminal domain	LigPlot