Ligand name: 3-{1-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1H-1,2,3-triazol-4-yl}benzoic acid
PDB ligand accession: 9TJ
DrugBank: n/a
PubChem: 71550248
ChEMBL: CHEMBL3586556
InChI Key: WHXOLIBPKXZPTN-HNNXBMFYSA-N
SMILES: B(C(Cn1cc(nn1)c2cccc(c2)C(=O)O)NC(=O)Cc3cccs3)(O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azoles
      • Subclass: Triazoles

List of PDB structures and/or AlphaFold models with target protein Q6DRA1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5W14	Download	Experimental	e5w14A1 e5w14A2 e5w14B1 e5w14B2 e5w14C1 e5w14C2 e5w14D1 e5w14D2	alpha-helical domain in beta-lactamase/transpeptidase-like proteins Profilin-like alpha-helical domain in beta-lactamase/transpeptidase-like proteins Profilin-like alpha-helical domain in beta-lactamase/transpeptidase-like proteins Profilin-like Profilin-like alpha-helical domain in beta-lactamase/transpeptidase-like proteins	LigPlot