Ligand name: ~{N}-[2,4-bis(fluoranyl)-5-[[14-(2-hydroxyethylcarbamoyl)-2-oxidanylidene-6-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]amino]phenyl]thiophene-2-carboxamide
PDB ligand accession: HB9
DrugBank: n/a
PubChem: 129900106
ChEMBL: CHEMBL4092372
InChI Key: ZBPQDEQSQUZYHD-UHFFFAOYSA-N
SMILES: c1cc(sc1)C(=O)Nc2cc(c(cc2F)F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)C(=O)NCCO
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Dibenzocycloheptenes
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q16539

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5MTY	Download	Experimental	e5mtyA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot