Ligand name: 3-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1H)-yl]-1-methyl-1H-indole-5-carboxylic acid
PDB ligand accession: KJP
DrugBank: n/a
PubChem: 134828256
ChEMBL: CHEMBL4469869
InChI Key: BSAYHBZFNXDOIJ-JOCHJYFZSA-N
SMILES: Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(CC4C)c5cn(c6c5cc(cc6)C(=O)O)C)c7c(nn(c7C)C)C)Cl
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q07820

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6NE5	Download	Experimental	e6ne5A1 e6ne5B1 e6ne5C1 e6ne5D1	Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains	LigPlot