Medvedev Lab DrugDomain Protein List Small Molecules Download GitHub
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:

List of proteins that are targets for BO2

# DrugDomain Data UniProt Accession Protein name Drug Action Affinity data
1 A0A5K1K7U1_BO2 A0A5K1K7U1 Proteasome subunit beta n/a
2 Q5SKM8_BO2 Q5SKM8 ATP-dependent Clp protease n/a
3 Q8IJT1_BO2 Q8IJT1 Proteasome subunit beta n/a
4 P28072_BO2 P28072 Proteasome subunit beta n/a IC50(nM) = 25.0
5 P36776_BO2 P36776 Lon protease homolog, n/a IC50(nM) = 183.0
6 P28074_BO2 P28074 Proteasome subunit beta inhibitor Ki(nM) = 0.6
IC50(nM) = 0.5
7 P28063_BO2 P28063 Proteasome subunit beta n/a IC50(nM) = 17.0
8 C9DRU9_BO2 C9DRU9 endopeptidase La (EC n/a
9 P20618_BO2 P20618 Proteasome subunit beta inhibitor IC50(nM) = 19.0
10 Q99436_BO2 Q99436 Proteasome subunit beta n/a IC50(nM) = 7.0
11 P23724_BO2 P23724 Proteasome subunit beta n/a
12 A0A3S7WPD8_BO2 A0A3S7WPD8 Proteasome subunit beta n/a
13 Q8I6T3_BO2 Q8I6T3 Proteasome subunit beta n/a
14 P49720_BO2 P49720 Proteasome subunit beta n/a
15 P30656_BO2 P30656 Proteasome subunit beta n/a
16 Q8I261_BO2 Q8I261 Proteasome subunit beta n/a
17 A0A3Q8IVH0_BO2 A0A3Q8IVH0 Proteasome subunit beta n/a
18 A0A2S1JJX2_BO2 A0A2S1JJX2 Beta-lactamase (EC 3.5.2.6) n/a
19 P38624_BO2 P38624 Proteasome subunit beta n/a
20 A0A059VAZ3_BO2 A0A059VAZ3 Lon protease (EC n/a
21 Q8I0U7_BO2 Q8I0U7 Proteasome subunit beta n/a
22 A0A3Q8IIY4_BO2 A0A3Q8IIY4 Proteasome subunit beta n/a
23 P28062_BO2 P28062 Proteasome subunit beta n/a IC50(nM) = 1.3
24 P25451_BO2 P25451 Proteasome subunit beta n/a
25 P42425_BO2 P42425 Lon protease 2 n/a
26 P25043_BO2 P25043 Proteasome subunit beta n/a
27 A0A3S7X127_BO2 A0A3S7X127 Proteasome subunit beta n/a