| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 24th, 2009 | 23 | Yes |
Popular Name: (1R,4S,5R,6R)-6-[(3-methoxycarbonylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-5-carboxylic (1R,4S,5R,6R)-6-[(3-methoxycarbo…
| 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) | 1.47 | 4.71 | -56.66 | 1 | 7 | -1 | 105 | 318.305 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.47 | 3.59 | -14.53 | 2 | 7 | 0 | 102 | 319.313 | 5 | ↓ |
| 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 | 7700 | 0.31 | Binding ≤ 10μM |
| 2ABG-1-E | Serine/threonine Protein Phosphatase 2A, 55 KDa Regulatory Subunit B, Gamma Isoform (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7700 | 0.31 | Binding ≤ 10μM |
| PP2AA-1-E | Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7700 | 0.31 | Binding ≤ 10μM |
| PP2AB-1-E | Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Beta Isoform (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7700 | 0.31 | Binding ≤ 10μM |
| PTPA-1-E | Protein Phosphatase 2A Regulatory Subunit B' (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7700 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTPA_HUMAN | Q15257 | Protein Phosphatase 2A Regulatory Subunit B', Human | 7700 | 0.31 | Binding ≤ 10μM |
| 2ABG_HUMAN | Q9Y2T4 | Serine/threonine Protein Phosphatase 2A, 55 KDa Regulatory Subunit B, Gamma Isoform, Human | 7700 | 0.31 | Binding ≤ 10μM |
| 2A5A_HUMAN | Q15172 | Serine/threonine Protein Phosphatase 2A, 56 KDa Regulatory Subunit, Alpha Isoform, Human | 7700 | 0.31 | Binding ≤ 10μM |
| PP2AA_HUMAN | P67775 | Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Alpha Isoform, Human | 7700 | 0.31 | Binding ≤ 10μM |
| PP2AB_HUMAN | P62714 | Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Beta Isoform, Human | 7700 | 0.31 | Binding ≤ 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 | |
| ERK/MAPK targets | |
| ERKs are inactivated | |
| Glycolysis | |
| Inhibition of replication initiation of damaged DNA by RB1/E2F1 | |
| Initiation of Nuclear Envelope Reformation | |
| Integration of energy metabolism | |
| 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 | |
| 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 |
No pre-computed analogs available. Try a structural similarity search.