Ligand name: 5,8-dichloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one
PDB ligand accession: K40
DrugBank: n/a
PubChem: 665194
ChEMBL: CHEMBL1345945
InChI Key: VJUGVVOGVWAGRV-UHFFFAOYSA-N
SMILES: c1cc(c2c(c1Cl)c3c([nH]2)C(=O)NCC3)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: Pyridoindoles

List of PDB structures and/or AlphaFold models with target protein Q9Y233

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5SJK	Download	Experimental	e5sjkA1 e5sjkB1 e5sjkC1 e5sjkD1	PDEase-like PDEase-like PDEase-like PDEase-like	LigPlot