Ligand name: 7-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-3-carboxylic acid
PDB ligand accession: ECM
DrugBank: n/a
PubChem: 118406995
ChEMBL: CHEMBL4083870
InChI Key: SIUYYHMJPRXSEZ-UHFFFAOYSA-N
SMILES: Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(CCC4)c5cccc6c5n(cc6C(=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
6BW8	Download	Experimental	e6bw8A1 e6bw8B1 e6bw8C1 e6bw8A1 e6bw8B1 e6bw8A1 e6bw8C1 e6bw8D1	Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains	LigPlot