Ligand name: 1-{(3S,3aS)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-8-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl}-2-hydroxyethanone
PDB ligand accession: 1HW
DrugBank: n/a
PubChem: 78225511
ChEMBL: n/a
InChI Key: RPGVJSZQQKMKSB-JLTOFOAXSA-N
SMILES: COc1ccc2c(c1)C3=NN(C(C3CC2)c4ccc(c(c4)F)OC(F)(F)F)C(=O)CO
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q13546

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4ITI	Download	Experimental	e4itiA2 e4itiB2	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot