General
Preferred name
Epoxomicin
Synonyms
CHEMBL207990 ()
BU-4061T ()
EPOXOMYCIN ()
P&D ID
PD020260
CAS
134381-21-8
Tags
available
probe
covalent binder
nuisance
Probe info
Probe type
P&D approved
calculated probe
Probe selectivity
protein-selective
Probe sources
Probe Miner (suitable probes)
Tool Compound Set
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Orthogonal probes
45
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Epoxomicin (BU-4061T) is an epoxyketone-containing natural product and a potent, selective and irreversible proteasome inhibitor. Epoxomicin covalently binds to the LMP7, X, MECL1, and Z catalytic subunits of the proteasome and potently inhibits primarily the chymotrypsin-like activity. Epoxomicin can cross the blood-brain barrier. Epoxomicin has strongly antitumor and anti-inflammatory activity[1][2][3][4][5].
PRICE
552
DESCRIPTION
Epoxomicin (BU-4061T,Aids010837) is a selective proteasome inhibitor with anti-inflammatory activity, inhibits primarily the CH-L activity of the 20S proteasome, while T-L and PGPH catalytic activities are also inhibited at 100- and 1000-fold reduced rate.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
3
Organisms
4
Compound Sets
8
Cayman Chemical Bioactives
CovBinderInPDB
MedChem Express Bioactive Compound Library
Nuisance compounds in cellular assays
Probe Miner (suitable probes)
TargetMol Bioactive Compound Library
Tool Compound Set
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Molecular Weight
554.37
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
4
Rotatable Bonds
16
Ring Count
1
Aromatic Ring Count
0
cLogP
1.16
TPSA
157.44
Fraction CSP3
0.82
Chiral centers
8.0
Largest ring
3.0
QED
0.21
Structural alerts
1
Protein disruption
Proteosome inhibition
Nuisance compounds
Related compounds
Custom attributes
(extracted from source data)
Target
Proteasome Macropain subunit MB1
20S proteasome
Apoptosis
Proteasome
MOA
Proteasome inhibitor
Pathway
Proteases/Proteasome
Ubiquitination
Metabolic Enzyme/Protease
Source data
