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 P36776

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7KRZ	Download	Experimental	e7krzA1 e7krzA3 e7krzB1 e7krzB4 e7krzC2 e7krzC4 e7krzD3 e7krzD4 e7krzE2 e7krzE4 e7krzF2 e7krzF4	C-terminal subdomain in Lon-related proteases catalytic domains Ribosomal protein S5 domain 2-like Ribosomal protein S5 domain 2-like C-terminal subdomain in Lon-related proteases catalytic domains C-terminal subdomain in Lon-related proteases catalytic domains Ribosomal protein S5 domain 2-like C-terminal subdomain in Lon-related proteases catalytic domains Ribosomal protein S5 domain 2-like C-terminal subdomain in Lon-related proteases catalytic domains Ribosomal protein S5 domain 2-like Ribosomal protein S5 domain 2-like C-terminal subdomain in Lon-related proteases catalytic domains	LigPlot
6X27	Download	Experimental	e6x27A1 e6x27A2 e6x27B1 e6x27B2 e6x27C1 e6x27C2 e6x27D1 e6x27D2 e6x27B1 e6x27E1 e6x27E2 e6x27D1 e6x27F1 e6x27F2 e6x27G1 e6x27G2 e6x27C2 e6x27H1 e6x27H2 e6x27I1 e6x27I2 e6x27G1 e6x27J1 e6x27J2 e6x27H2 e6x27K1 e6x27K2 e6x27L1 e6x27L2	C-terminal subdomain in Lon-related proteases catalytic domains Ribosomal protein S5 domain 2-like Ribosomal protein S5 domain 2-like C-terminal subdomain in Lon-related proteases catalytic domains C-terminal subdomain in Lon-related proteases catalytic domains Ribosomal protein S5 domain 2-like Ribosomal protein S5 domain 2-like C-terminal subdomain in Lon-related proteases catalytic domains Ribosomal protein S5 domain 2-like Ribosomal protein S5 domain 2-like C-terminal subdomain in Lon-related proteases catalytic domains Ribosomal protein S5 domain 2-like Ribosomal protein S5 domain 2-like C-terminal subdomain in Lon-related proteases catalytic domains Ribosomal protein S5 domain 2-like C-terminal subdomain in Lon-related proteases catalytic domains Ribosomal protein S5 domain 2-like C-terminal subdomain in Lon-related proteases catalytic domains Ribosomal protein S5 domain 2-like Ribosomal protein S5 domain 2-like C-terminal subdomain in Lon-related proteases catalytic domains Ribosomal protein S5 domain 2-like C-terminal subdomain in Lon-related proteases catalytic domains Ribosomal protein S5 domain 2-like Ribosomal protein S5 domain 2-like C-terminal subdomain in Lon-related proteases catalytic domains Ribosomal protein S5 domain 2-like Ribosomal protein S5 domain 2-like C-terminal subdomain in Lon-related proteases catalytic domains	LigPlot