Ligand name: 5-[bis(fluoranyl)methyl]-15-bromanyl-2,4,8,9,11-pentazatetracyclo[11.4.0.0^{2,6}.0^{8,12}]heptadeca-1(13),3,5,9,11,14,16-heptaene
PDB ligand accession: QK9
DrugBank: n/a
PubChem: 11624499
ChEMBL: CHEMBL1080588
InChI Key: AFJRYPJIKHMNGL-UHFFFAOYSA-N
SMILES: c1cc-2c(cc1Br)-c3ncnn3Cc4n2cnc4C(F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzodiazepines
      • Subclass: 1,4-benzodiazepines

List of PDB structures and/or AlphaFold models with target protein P31644

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8BHS	Download	Experimental	e8bhsA2 e8bhsE1 e8bhsA2 e8bhsB2 e8bhsB2 e8bhsC2 e8bhsC2 e8bhsD2 e8bhsD2 e8bhsE1	Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich	LigPlot