Ligand name: Bedaquiline
PDB ligand accession: BQ1
DrugBank: DB08903
PubChem: 5388906
ChEMBL: CHEMBL376488
InChI Key: QUIJNHUBAXPXFS-XLJNKUFUSA-N
SMILES: CN(C)CCC(c1cccc2c1cccc2)(C(c3ccccc3)c4cc5cc(ccc5nc4OC)Br)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Stilbenes
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein A0R206

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7JGC	Download	Experimental	e7jgca1 e7jgc11 e7jgc21 e7jgca1 e7jgc41 e7jgc51	F1F0 ATP synthase subunit A F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit A F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C	LigPlot
7JGA	Download	Experimental	e7jgaa1 e7jga11 e7jga21 e7jgaa1 e7jga41 e7jga51	F1F0 ATP synthase subunit A F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit A F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C	LigPlot
7JG8	Download	Experimental	e7jg8a1 e7jg811 e7jg891 e7jg8a1 e7jg861 e7jg871	F1F0 ATP synthase subunit A F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit A F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C	LigPlot
7NJV	Download	Experimental	e7njvM1 e7njvN1 e7njva1	F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit A	LigPlot
7JG9	Download	Experimental	e7jg9a1 e7jg931 e7jg941 e7jg9a1 e7jg961 e7jg971	F1F0 ATP synthase subunit A F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit A F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C	LigPlot