Ligand id: 6391

Name: bortezomib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 11
Topological polar surface area 124.44
Molecular weight 384.2
XLogP 1.01
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Bonvini P, Zorzi E, Basso G, Rosolen A. (2007)
Bortezomib-mediated 26S proteasome inhibition causes cell-cycle arrest and induces apoptosis in CD-30+ anaplastic large cell lymphoma.
Leukemia, 21 (4): 838-42. [PMID:17268529]
2. Ciechanover A. (2005)
Intracellular protein degradation: from a vague idea, through the lysosome and the ubiquitin-proteasome system, and onto human diseases and drug targeting (Nobel lecture).
Angew. Chem. Int. Ed. Engl., 44 (37): 5944-67. [PMID:16142822]
3. Groll M, Berkers CR, Ploegh HL, Ovaa H. (2006)
Crystal structure of the boronic acid-based proteasome inhibitor bortezomib in complex with the yeast 20S proteasome.
Structure, 14 (3): 451-6. [PMID:16531229]
4. Nakamura H, Watanabe M, Ban HS, Nabeyama W, Asai A. (2009)
Synthesis and biological evaluation of boron peptide analogues of Belactosin C as proteasome inhibitors.
Bioorg. Med. Chem. Lett., 19 (12): 3220-4. [PMID:19428245]