| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2011 | 38 | 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) | 3.63 | 6.76 | -17.38 | 3 | 8 | 0 | 109 | 526.515 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GSK3B-1-E | Glycogen Synthase Kinase-3 Beta (cluster #1 Of 7), Eukaryotic | Eukaryotes | 3 | 0.31 | Binding ≤ 10μM |
| JAK1-1-E | Tyrosine-protein Kinase JAK1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1017 | 0.22 | Binding ≤ 10μM |
| JAK2-1-E | Tyrosine-protein Kinase JAK2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2550 | 0.21 | Binding ≤ 10μM |
| JAK3-1-E | Tyrosine-protein Kinase JAK3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1294 | 0.22 | Binding ≤ 10μM |
| KPCA-1-E | Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic | Eukaryotes | 13 | 0.29 | Binding ≤ 10μM |
| KPCT-1-E | Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic | Eukaryotes | 68 | 0.26 | Binding ≤ 10μM |
| TYK2-1-E | Tyrosine-protein Kinase TYK2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8055 | 0.19 | Binding ≤ 10μM |
| Z81072-1-O | Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other | Other | 689 | 0.23 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 3 | 0.31 | Binding ≤ 1μM |
| KPCA_HUMAN | P17252 | Protein Kinase C Alpha, Human | 13 | 0.29 | Binding ≤ 1μM |
| KPCT_HUMAN | Q04759 | Protein Kinase C Theta, Human | 68 | 0.26 | Binding ≤ 1μM |
| JAK3_HUMAN | P52333 | Tyrosine-protein Kinase JAK3, Human | 525 | 0.23 | Binding ≤ 1μM |
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 3 | 0.31 | Binding ≤ 10μM |
| KPCA_HUMAN | P17252 | Protein Kinase C Alpha, Human | 13 | 0.29 | Binding ≤ 10μM |
| KPCT_HUMAN | Q04759 | Protein Kinase C Theta, Human | 68 | 0.26 | Binding ≤ 10μM |
| JAK1_HUMAN | P23458 | Tyrosine-protein Kinase JAK1, Human | 1017 | 0.22 | Binding ≤ 10μM |
| JAK2_HUMAN | O60674 | Tyrosine-protein Kinase JAK2, Human | 2550 | 0.21 | Binding ≤ 10μM |
| JAK3_MOUSE | Q62137 | Tyrosine-protein Kinase JAK3, Mouse | 1294 | 0.22 | Binding ≤ 10μM |
| JAK3_HUMAN | P52333 | Tyrosine-protein Kinase JAK3, Human | 525 | 0.23 | Binding ≤ 10μM |
| TYK2_HUMAN | P29597 | Tyrosine-protein Kinase TYK2, Human | 8055 | 0.19 | Binding ≤ 10μM |
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 689 | 0.23 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Acetylcholine regulates insulin secretion | |
| AKT phosphorylates targets in the cytosol | |
| APC truncation mutants have impaired AXIN binding | |
| Apoptotic cleavage of cellular proteins | |
| AXIN missense mutants destabilize the destruction complex | |
| Beta-catenin phosphorylation cascade | |
| Ca2+ pathway | |
| Calmodulin induced events | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CRMPs in Sema3A signaling | |
| Degradation of beta-catenin by the destruction complex | |
| Depolymerisation of the Nuclear Lamina | |
| disassembly of the destruction complex and recruitment of AXIN to the membrane | |
| Disinhibition of SNARE formation | |
| Downstream TCR signaling | |
| Effects of PIP2 hydrolysis | |
| EGFR Transactivation by Gastrin | |
| Factors involved in megakaryocyte development and platelet production | |
| FCERI mediated NF-kB activation | |
| G alpha (z) signalling events | |
| Growth hormone receptor signaling | |
| HuR stabilizes mRNA | |
| Inactivation, recovery and regulation of the phototransduction cascade | |
| Interferon alpha/beta signaling | |
| Interferon gamma signaling | |
| Interleukin receptor SHC signaling | |
| Interleukin-2 signaling | |
| Interleukin-3, 5 and GM-CSF signaling | |
| Interleukin-6 signaling | |
| Interleukin-7 signaling | |
| ISG15 antiviral mechanism | |
| misspliced GSK3beta mutants stabilize beta-catenin | |
| Netrin-1 signaling | |
| Prolactin receptor signaling | |
| Regulation of HSF1-mediated heat shock response | |
| Regulation of IFNA signaling | |
| Regulation of IFNG signaling | |
| Regulation of KIT signaling | |
| Response to elevated platelet cytosolic Ca2+ | |
| RMTs methylate histone arginines | |
| S33 mutants of beta-catenin aren't phosphorylated | |
| S37 mutants of beta-catenin aren't phosphorylated | |
| S45 mutants of beta-catenin aren't phosphorylated | |
| Signaling by Leptin | |
| Signaling by SCF-KIT | |
| Syndecan interactions | |
| T41 mutants of beta-catenin aren't phosphorylated | |
| Trafficking of GluR2-containing AMPA receptors | |
| truncations of AMER1 destabilize the destruction complex | |
| VEGFR2 mediated cell proliferation | |
| WNT5A-dependent internalization of FZD4 |
No pre-computed analogs available. Try a structural similarity search.