| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 1st, 2011 | 22 | Yes |
None
| 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) | 3.81 | 7.28 | -38.24 | 4 | 5 | 1 | 82 | 291.334 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 7.15 | -12.84 | 3 | 5 | 0 | 81 | 290.326 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AURKB-1-E | Serine/threonine-protein Kinase Aurora-B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 26 | 0.48 | Binding ≤ 10μM |
| GSK3B-1-E | Glycogen Synthase Kinase-3 Beta (cluster #1 Of 7), Eukaryotic | Eukaryotes | 450 | 0.40 | Binding ≤ 10μM |
| JAK2-1-E | Tyrosine-protein Kinase JAK2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 16 | 0.50 | Binding ≤ 10μM |
| PAK4-1-E | Serine/threonine-protein Kinase PAK 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3588 | 0.35 | Binding ≤ 10μM |
| PIM1-1-E | Serine/threonine-protein Kinase PIM1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5155 | 0.34 | Binding ≤ 10μM |
| ROCK2-1-E | Rho-associated Protein Kinase 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 16 | 0.50 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3291 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 450 | 0.40 | Binding ≤ 1μM |
| ROCK2_HUMAN | O75116 | Rho-associated Protein Kinase 2, Human | 16 | 0.50 | Binding ≤ 1μM |
| AURKB_HUMAN | Q96GD4 | Serine/threonine-protein Kinase Aurora-B, Human | 26 | 0.48 | Binding ≤ 1μM |
| JAK2_HUMAN | O60674 | Tyrosine-protein Kinase JAK2, Human | 16 | 0.50 | Binding ≤ 1μM |
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 450 | 0.40 | Binding ≤ 10μM |
| ROCK2_HUMAN | O75116 | Rho-associated Protein Kinase 2, Human | 16 | 0.50 | Binding ≤ 10μM |
| AURKB_HUMAN | Q96GD4 | Serine/threonine-protein Kinase Aurora-B, Human | 26 | 0.48 | Binding ≤ 10μM |
| PAK4_HUMAN | O96013 | Serine/threonine-protein Kinase PAK 4, Human | 3588 | 0.35 | Binding ≤ 10μM |
| PIM1_HUMAN | P11309 | Serine/threonine-protein Kinase PIM1, Human | 5155 | 0.34 | Binding ≤ 10μM |
| JAK2_HUMAN | O60674 | Tyrosine-protein Kinase JAK2, Human | 16 | 0.50 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 3291 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Rac | |
| AKT phosphorylates targets in the cytosol | |
| APC truncation mutants have impaired AXIN binding | |
| APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins | |
| AXIN missense mutants destabilize the destruction complex | |
| Beta-catenin phosphorylation cascade | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CRMPs in Sema3A signaling | |
| Degradation of beta-catenin by the destruction complex | |
| disassembly of the destruction complex and recruitment of AXIN to the membrane | |
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| Factors involved in megakaryocyte development and platelet production | |
| G alpha (12/13) signalling events | |
| Growth hormone receptor signaling | |
| Integrin cell surface interactions | |
| Interferon gamma signaling | |
| Interleukin receptor SHC signaling | |
| Interleukin-3, 5 and GM-CSF signaling | |
| Interleukin-6 signaling | |
| misspliced GSK3beta mutants stabilize beta-catenin | |
| Mitotic Prometaphase | |
| Neurophilin interactions with VEGF and VEGFR | |
| Prolactin receptor signaling | |
| Regulation of HSF1-mediated heat shock response | |
| Regulation of IFNG signaling | |
| Resolution of Sister Chromatid Cohesion | |
| 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 | |
| Sema4D induced cell migration and growth-cone collapse | |
| Separation of Sister Chromatids | |
| Signaling by Leptin | |
| Signaling by SCF-KIT | |
| T41 mutants of beta-catenin aren't phosphorylated | |
| truncations of AMER1 destabilize the destruction complex | |
| VEGF binds to VEGFR leading to receptor dimerization | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation |
No pre-computed analogs available. Try a structural similarity search.