Ligand name: (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile
PDB ligand accession: 5P8
DrugBank: DB12130
PubChem: 71731823
ChEMBL: CHEMBL3286830
InChI Key: IIXWYSCJSQVBQM-LLVKDONJSA-N
SMILES: CC1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F
Drug action: inhibitor

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein Q9UM73

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4CLI	Download	Experimental	e4cliA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5A9U	Download	Experimental	e5a9uA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5AA8	Download	Experimental	e5aa8A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4CLJ	Download	Experimental	e4cljA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5AA9	Download	Experimental	e5aa9A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot