Ligand name: ~{tert}-butyl 3-[(2~{S},5~{S},8~{S})-14-cyclopentyloxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate
PDB ligand accession: BWQ
DrugBank: n/a
PubChem: 132990900
ChEMBL: n/a
InChI Key: MVNIRJAHJUCHLD-HVCNVCAESA-N
SMILES: CC(C)CC1c2c(c3ccc(cc3[nH]2)OC4CCCC4)CC5N1C(=O)C(NC5=O)CCC(=O)OC(C)(C)C
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 Q9UNQ0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6HIJ	Download	Experimental	e6hijA1 e6hijB2	Type II ABC exporter transmembrane domain fold Type II ABC exporter transmembrane domain fold	LigPlot
6ETI	Download	Experimental	e6etiA1 e6etiB2	Type II ABC exporter transmembrane domain fold Type II ABC exporter transmembrane domain fold	LigPlot
6FFC	Download	Experimental	e6ffcA1 e6ffcB1	Type II ABC exporter transmembrane domain fold Type II ABC exporter transmembrane domain fold	LigPlot