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

ClassyFire chemical classification:

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

List of proteins that are targets for BO2

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	A0A5K1K7U1_BO2	A0A5K1K7U1	n/a
2	Q5SKM8_BO2	Q5SKM8	n/a
3	Q8IJT1_BO2	Q8IJT1	n/a
4	P28072_BO2	P28072	n/a	IC50(nM) = 25.0
5	P36776_BO2	P36776	n/a	IC50(nM) = 183.0
6	P28074_BO2	P28074	inhibitor	Ki(nM) = 0.6 IC50(nM) = 0.5
7	P28063_BO2	P28063	n/a	IC50(nM) = 17.0
8	C9DRU9_BO2	C9DRU9	n/a
9	P20618_BO2	P20618	inhibitor	IC50(nM) = 19.0
10	Q99436_BO2	Q99436	n/a	IC50(nM) = 7.0
11	P23724_BO2	P23724	n/a
12	A0A3S7WPD8_BO2	A0A3S7WPD8	n/a
13	Q8I6T3_BO2	Q8I6T3	n/a
14	P49720_BO2	P49720	n/a
15	P30656_BO2	P30656	n/a
16	Q8I261_BO2	Q8I261	n/a
17	A0A3Q8IVH0_BO2	A0A3Q8IVH0	n/a
18	A0A2S1JJX2_BO2	A0A2S1JJX2	n/a
19	P38624_BO2	P38624	n/a
20	A0A059VAZ3_BO2	A0A059VAZ3	n/a
21	Q8I0U7_BO2	Q8I0U7	n/a
22	A0A3Q8IIY4_BO2	A0A3Q8IIY4	n/a
23	P28062_BO2	P28062	n/a	IC50(nM) = 1.3
24	P25451_BO2	P25451	n/a
25	P42425_BO2	P42425	n/a
26	P25043_BO2	P25043	n/a
27	A0A3S7X127_BO2	A0A3S7X127	n/a