UCSF

ZINC13476439

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 34 No

Popular Name: MG-132 MG-132

Find On: PubMed — Wikipedia — Google

CAS Numbers: 133407-82-6 , [133407-82-6]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.29 9.21 -11.65 3 8 0 114 475.63 15 ↓

Vendor Notes

Note Type Comments Provided By
Target Proteasome Selleck Chemicals
UniProt Database Links PSA1_HALVD; PSB_HALVD ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
IKBA-1-E NF-kappaB Inhibitor Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 5200 0.22 Binding ≤ 10μM
Z100256-1-O Proteasome (cluster #1 Of 1), Other Other 4 0.35 Binding ≤ 10μM
Z80035-7-O B16 (Melanoma Cells) (cluster #7 Of 7), Other Other 42 0.30 Functional ≤ 10μM
Z80224-6-O MCF7 (Breast Carcinoma Cells) (cluster #6 Of 14), Other Other 300 0.27 Functional ≤ 10μM
Z80390-3-O PC-3 (Prostate Carcinoma Cells) (cluster #3 Of 10), Other Other 600 0.26 Functional ≤ 10μM
Z80418-9-O RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #9 Of 9), Other Other 439 0.26 Functional ≤ 10μM
Z81252-7-O MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #7 Of 11), Other Other 250 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
IKBA_HUMAN P25963 NF-kappaB Inhibitor Alpha, Human 1000 0.25 Binding ≤ 1μM
Z100256 Z100256 Proteasome 4 0.35 Binding ≤ 1μM
IKBA_HUMAN P25963 NF-kappaB Inhibitor Alpha, Human 1000 0.25 Binding ≤ 10μM
Z100256 Z100256 Proteasome 4 0.35 Binding ≤ 10μM
Z80035 Z80035 B16 (Melanoma Cells) 42 0.30 Functional ≤ 10μM
Z80224 Z80224 MCF7 (Breast Carcinoma Cells) 300 0.27 Functional ≤ 10μM
Z81252 Z81252 MDA-MB-231 (Breast Adenocarcinoma Cells) 250 0.27 Functional ≤ 10μM
Z80390 Z80390 PC-3 (Prostate Carcinoma Cells) 600 0.26 Functional ≤ 10μM
Z80418 Z80418 RAW264.7 (Monocytic-macrophage Leukemia Cells) 350 0.27 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of NF-kappaB in B cells
Downstream TCR signaling
FCERI mediated NF-kB activation
NF-kB is activated and signals survival
RIP-mediated NFkB activation via ZBP1
TAK1 activates NFkB by phosphorylation and activation of IKKs complex
TRAF6 mediated NF-kB activation

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.