| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 22nd, 2008 | 14 | No |
| 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) | 1.37 | 4.64 | -10.95 | 0 | 4 | 0 | 53 | 196.202 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| UniProt Database Links | 2AAA_ARATH; CRG1_YEAST; PDR1_TOBAC | ChEBI |
| Target | High affinity immunoglobulin epsilon receptor subunit beta(Q01362)&Transcription factor p65(Q04206)&Prostaglandin G/H synthase 2(P35354)&Catenin beta-1(P35222)&Transcription factor 7(P36402)&Epidermal growth factor receptor(P00533)&G1/S-specific cyclin-D1 | Herbal Ingredients Targets |
| Therapy | irritant | SMDC MicroSource |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 2A5A-1-E | Serine/threonine Protein Phosphatase 2A, 56 KDa Regulatory Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic | Eukaryotes | 600 | 0.62 | Binding ≤ 10μM |
| 2AAA-1-E | Serine/threonine Protein Phosphatase 2A, 65 KDa Regulatory Subunit A, Alpha Isoform (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8000 | 0.51 | Binding ≤ 10μM |
| 2ABG-1-E | Serine/threonine Protein Phosphatase 2A, 55 KDa Regulatory Subunit B, Gamma Isoform (cluster #1 Of 1), Eukaryotic | Eukaryotes | 600 | 0.62 | Binding ≤ 10μM |
| PP1A-1-E | Serine/threonine Protein Phosphatase PP1-alpha Catalytic Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 500 | 0.63 | Binding ≤ 10μM |
| PP1G-1-E | Serine/threonine Protein Phosphatase PP1-gamma Catalytic Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 500 | 0.63 | Binding ≤ 10μM |
| PP2AA-1-E | Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic | Eukaryotes | 600 | 0.62 | Binding ≤ 10μM |
| PP2AB-1-E | Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Beta Isoform (cluster #1 Of 1), Eukaryotic | Eukaryotes | 65 | 0.72 | Binding ≤ 10μM |
| PPM1B-1-E | Protein Phosphatase 2C Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 430 | 0.64 | Binding ≤ 10μM |
| PPM1J-1-E | Protein Phosphatase 2A Catalytic Subunit Zeta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 65 | 0.72 | Binding ≤ 10μM |
| PTN1-3-E | Protein-tyrosine Phosphatase 1B (cluster #3 Of 4), Eukaryotic | Eukaryotes | 3600 | 0.54 | Binding ≤ 10μM |
| PTPA-1-E | Protein Phosphatase 2A Regulatory Subunit B' (cluster #1 Of 1), Eukaryotic | Eukaryotes | 600 | 0.62 | Binding ≤ 10μM |
| Q8AWE3-1-E | Serine-threonine Protein Phosphatase 2A Regulatory Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 360 | 0.64 | Binding ≤ 10μM |
| Z50425-1-O | Plasmodium Falciparum (cluster #1 Of 22), Other | Other | 9000 | 0.50 | Functional ≤ 10μM |
| Z80001-2-O | 143B (cluster #2 Of 2), Other | Other | 10000 | 0.50 | Functional ≤ 10μM |
| Z80166-2-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #2 Of 12), Other | Other | 6400 | 0.52 | Functional ≤ 10μM |
| Z80928-4-O | HCT-116 (Colon Carcinoma Cells) (cluster #4 Of 9), Other | Other | 9000 | 0.50 | Functional ≤ 10μM |
| Z81034-2-O | A2780 (Ovarian Carcinoma Cells) (cluster #2 Of 10), Other | Other | 10000 | 0.50 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPM1J_MOUSE | Q149T7 | Protein Phosphatase 2A Catalytic Subunit Zeta, Mouse | 65 | 0.72 | Binding ≤ 1μM |
| PTPA_HUMAN | Q15257 | Protein Phosphatase 2A Regulatory Subunit B', Human | 600 | 0.62 | Binding ≤ 1μM |
| PPM1B_HUMAN | O75688 | Protein Phosphatase 2C Beta, Human | 430 | 0.64 | Binding ≤ 1μM |
| Q8AWE3_CHICK | Q8AWE3 | Serine-threonine Protein Phosphatase 2A Regulatory Subunit, Chick | 200 | 0.67 | Binding ≤ 1μM |
| 2ABG_HUMAN | Q9Y2T4 | Serine/threonine Protein Phosphatase 2A, 55 KDa Regulatory Subunit B, Gamma Isoform, Human | 600 | 0.62 | Binding ≤ 1μM |
| 2A5A_HUMAN | Q15172 | Serine/threonine Protein Phosphatase 2A, 56 KDa Regulatory Subunit, Alpha Isoform, Human | 600 | 0.62 | Binding ≤ 1μM |
| PP2AA_HUMAN | P67775 | Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Alpha Isoform, Human | 600 | 0.62 | Binding ≤ 1μM |
| PP2AA_MOUSE | P63330 | Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Alpha Isoform, Mouse | 65 | 0.72 | Binding ≤ 1μM |
| PP2AB_HUMAN | P62714 | Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Beta Isoform, Human | 600 | 0.62 | Binding ≤ 1μM |
| PP1A_HUMAN | P62136 | Serine/threonine Protein Phosphatase PP1-alpha Catalytic Subunit, Human | 160 | 0.68 | Binding ≤ 1μM |
| PP1G_HUMAN | P36873 | Serine/threonine Protein Phosphatase PP1-gamma Catalytic Subunit, Human | 160 | 0.68 | Binding ≤ 1μM |
| PPM1J_MOUSE | Q149T7 | Protein Phosphatase 2A Catalytic Subunit Zeta, Mouse | 65 | 0.72 | Binding ≤ 10μM |
| PTPA_HUMAN | Q15257 | Protein Phosphatase 2A Regulatory Subunit B', Human | 600 | 0.62 | Binding ≤ 10μM |
| PPM1B_HUMAN | O75688 | Protein Phosphatase 2C Beta, Human | 1780 | 0.57 | Binding ≤ 10μM |
| PTN1_HUMAN | P18031 | Protein-tyrosine Phosphatase 1B, Human | 3600 | 0.54 | Binding ≤ 10μM |
| Q8AWE3_CHICK | Q8AWE3 | Serine-threonine Protein Phosphatase 2A Regulatory Subunit, Chick | 1700 | 0.58 | Binding ≤ 10μM |
| 2ABG_HUMAN | Q9Y2T4 | Serine/threonine Protein Phosphatase 2A, 55 KDa Regulatory Subunit B, Gamma Isoform, Human | 600 | 0.62 | Binding ≤ 10μM |
| 2A5A_HUMAN | Q15172 | Serine/threonine Protein Phosphatase 2A, 56 KDa Regulatory Subunit, Alpha Isoform, Human | 600 | 0.62 | Binding ≤ 10μM |
| 2AAA_MOUSE | Q76MZ3 | Serine/threonine Protein Phosphatase 2A, 65 KDa Regulatory Subunit A, Alpha Isoform, Mouse | 8000 | 0.51 | Binding ≤ 10μM |
| PP2AA_HUMAN | P67775 | Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Alpha Isoform, Human | 600 | 0.62 | Binding ≤ 10μM |
| PP2AA_MOUSE | P63330 | Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Alpha Isoform, Mouse | 65 | 0.72 | Binding ≤ 10μM |
| PP2AB_HUMAN | P62714 | Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Beta Isoform, Human | 600 | 0.62 | Binding ≤ 10μM |
| PP1A_HUMAN | P62136 | Serine/threonine Protein Phosphatase PP1-alpha Catalytic Subunit, Human | 160 | 0.68 | Binding ≤ 10μM |
| PP1G_HUMAN | P36873 | Serine/threonine Protein Phosphatase PP1-gamma Catalytic Subunit, Human | 160 | 0.68 | Binding ≤ 10μM |
| Z80001 | Z80001 | 143B | 10000 | 0.50 | Functional ≤ 10μM |
| Z81034 | Z81034 | A2780 (Ovarian Carcinoma Cells) | 10000 | 0.50 | Functional ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 9000 | 0.50 | Functional ≤ 10μM |
| Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 6400 | 0.52 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 2511.88643 | 0.56 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| APC truncation mutants have impaired AXIN binding | |
| AXIN missense mutants destabilize the destruction complex | |
| Beta-catenin phosphorylation cascade | |
| CTLA4 inhibitory signaling | |
| Cyclin A/B1 associated events during G2/M transition | |
| Cyclin D associated events in G1 | |
| DARPP-32 events | |
| Degradation of beta-catenin by the destruction complex | |
| disassembly of the destruction complex and recruitment of AXIN to the membrane | |
| Downregulation of TGF-beta receptor signaling | |
| ERK/MAPK targets | |
| ERKs are inactivated | |
| Glycolysis | |
| Growth hormone receptor signaling | |
| Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis | |
| Inhibition of replication initiation of damaged DNA by RB1/E2F1 | |
| Initiation of Nuclear Envelope Reformation | |
| Integration of energy metabolism | |
| Integrin alphaIIb beta3 signaling | |
| ISG15 antiviral mechanism | |
| Loss of Nlp from mitotic centrosomes | |
| Loss of proteins required for interphase microtubule organization from the ce | |
| MASTL Facilitates Mitotic Progression | |
| misspliced GSK3beta mutants stabilize beta-catenin | |
| Mitotic Prometaphase | |
| Nonsense Mediated Decay (NMD) enhanced by the Exon Junction Complex (EJC) | |
| Platelet sensitization by LDL | |
| PP2A-mediated dephosphorylation of key metabolic factors | |
| Recruitment of mitotic centrosome proteins and complexes | |
| Regulation of IFNA signaling | |
| Regulation of IFNG signaling | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Resolution of Sister Chromatid Cohesion | |
| S33 mutants of beta-catenin aren't phosphorylated | |
| S37 mutants of beta-catenin aren't phosphorylated | |
| S45 mutants of beta-catenin aren't phosphorylated | |
| Separation of Sister Chromatids | |
| Spry regulation of FGF signaling | |
| T41 mutants of beta-catenin aren't phosphorylated | |
| truncations of AMER1 destabilize the destruction complex |
