Ligand name: (8R,9S,10S)-10-[(dimethylamino)methyl]-N-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
PDB ligand accession: B79
DrugBank: n/a
PubChem: 118065266
ChEMBL: CHEMBL4284340
InChI Key: VKRCTZCBMKVHCK-RTOKGZNSSA-N
SMILES: CN(C)CC1C(C2N1CCCCN(C2)C(=O)Nc3ccc(cc3)OC)c4ccc(cc4)C#Cc5ccccc5
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 Q8I246

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7DPI	Download	Experimental	e7dpiA1 e7dpiC2	Class II aaRS and biotin synthetases Class II aaRS and biotin synthetases	LigPlot