Ligand name: (5S)-5-tert-butyl-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-3-[8-(methylsulfonyl)-1,1-dioxido-6,7,8,9-tetrahydroisothiazolo[4,5-h]isoquinolin-3-yl]-1,5-dihydro-2H-pyrrol-2-one
PDB ligand accession: H5S
DrugBank: n/a
PubChem: 135926456
ChEMBL: n/a
InChI Key: YRWZNTIWOPXYQZ-RUZDIDTESA-N
SMILES: Cc1cc(ccc1F)CN2C(C(=C(C2=O)C3=NS(=O)(=O)c4c3ccc5c4CN(CC5)S(=O)(=O)C)O)C(C)(C)C
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 P26663

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3H5S	Download	Experimental	e3h5sA1 e3h5sA2 e3h5sB1 e3h5sB2	helical bundle domain in reverse transcriptase-like polymerases Alpha-beta plaits helical bundle domain in reverse transcriptase-like polymerases Alpha-beta plaits	LigPlot