Ligand name: 7-(3-{[4-(4-acetylpiperazin-1-yl)phenoxy]methyl}-1,5-dimethyl-1H-pyrazol-4-yl)-3-{3-[(naphthalen-1-yl)oxy]propyl}-1-[(pyridin-3-yl)methyl]-1H-indole-2-carboxylic acid
PDB ligand accession: 9EA
DrugBank: n/a
PubChem: 68938909
ChEMBL: CHEMBL3417706
InChI Key: VKKQBUSCPZGZBT-UHFFFAOYSA-N
SMILES: Cc1c(c(nn1C)COc2ccc(cc2)N3CCN(CC3)C(=O)C)c4cccc5c4n(c(c5CCCOc6cccc7c6cccc7)C(=O)O)Cc8cccnc8
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

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
5VKC	Download	Experimental	e5vkcA1 e5vkcA1 e5vkcB1	Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains	LigPlot