Ligand name: N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE
PDB ligand accession: BO2
DrugBank: DB00188
PubChem: 387447
ChEMBL: CHEMBL325041
InChI Key: GXJABQQUPOEUTA-RDJZCZTQSA-N
SMILES: B(C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)c2cnccn2)(O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein Q8I6T3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7LXT	Download	Experimental	e7lxtH1 e7lxtI1 e7lxtI1 e7lxtJ1 e7lxtV1 e7lxtW1 e7lxtW1 e7lxtX1	Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C	LigPlot