Ligand name: N-[(2R)-3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]-8-fluoro-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide
PDB ligand accession: 1L4
DrugBank: n/a
PubChem: 71296073
ChEMBL: n/a
InChI Key: HMBXWXQQVHJMOO-JOCHJYFZSA-N
SMILES: c1cc(cc(c1)C#N)CC(C(=O)N2CCCC2)NS(=O)(=O)c3cc4c(c(c3)F)CNCC4
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 Q8WTS6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4JDS	Download	Experimental	e4jdsA4 e4jdsB4 e4jdsC4 e4jdsD4	beta-clip beta-clip beta-clip beta-clip	LigPlot