| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2011 | 34 | Yes |
| 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) | 4.11 | 10.2 | -41.93 | 6 | 9 | 1 | 126 | 463.61 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.11 | 10.07 | -21.43 | 5 | 9 | 0 | 125 | 462.602 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | PDK-1 | Selleck Chemicals |
| 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 | 3162 | 0.23 | Binding ≤ 10μM |
| PDPK1-1-E | 3-phosphoinositide Dependent Protein Kinase-1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 293 | 0.27 | Binding ≤ 10μM |
| ROCK1-2-E | Rho-associated Protein Kinase 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 7943 | 0.21 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDPK1_HUMAN | O15530 | 3-phosphoinositide Dependent Protein Kinase-1, Human | 113 | 0.29 | Binding ≤ 1μM |
| PDPK1_HUMAN | O15530 | 3-phosphoinositide Dependent Protein Kinase-1, Human | 113 | 0.29 | Binding ≤ 10μM |
| ROCK1_HUMAN | Q13464 | Rho-associated Protein Kinase 1, Human | 7943 | 0.21 | Binding ≤ 10μM |
| AURKB_HUMAN | Q96GD4 | Serine/threonine-protein Kinase Aurora-B, Human | 3162 | 0.23 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of PKB | |
| APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins | |
| Apoptotic cleavage of cellular proteins | |
| CD28 dependent PI3K/Akt signaling | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CTLA4 inhibitory signaling | |
| Downstream TCR signaling | |
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| FCERI mediated NF-kB activation | |
| G alpha (12/13) signalling events | |
| G beta:gamma signalling through PI3Kgamma | |
| GPVI-mediated activation cascade | |
| Integrin alphaIIb beta3 signaling | |
| Mitotic Prometaphase | |
| PIP3 activates AKT signaling | |
| Resolution of Sister Chromatid Cohesion | |
| Role of LAT2/NTAL/LAB on calcium mobilization | |
| RSK activation | |
| Sema4D induced cell migration and growth-cone collapse | |
| Separation of Sister Chromatids | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation | |
| VEGFR2 mediated vascular permeability |
No pre-computed analogs available. Try a structural similarity search.