Ligand name: 2-isoquinolin-1-ylsulfanylethanoic acid
PDB ligand accession: U4K
DrugBank: n/a
PubChem: 1115922
ChEMBL: CHEMBL1727684
InChI Key: PISYQRRSPUEVQL-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)ccnc2SCC(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoquinolines and derivatives
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q6P988

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7BN5	Download	Experimental	e7bn5A1	alpha/beta-Hydrolases	LigPlot