Ligand name: (3S,4R,8R,9R,10S)-N-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
PDB ligand accession: FB9
DrugBank: n/a
PubChem: 154815705
ChEMBL: n/a
InChI Key: DJCBDEOPQMQGCA-AXJMTRDLSA-N
SMILES: COCC1C(C2N1CC(C(CN(C2)C(=O)Nc3ccc(cc3)OC4CC4)O)O)c5ccc(cc5)C#Cc6ccccc6
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azetidines
      • Subclass: Phenylazetidines

List of PDB structures and/or AlphaFold models with target protein A5K9S0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7BY6	Download	Experimental	e7by6A2	Class II aaRS and biotin synthetases	LigPlot