| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 30 | 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) | 2.38 | 8.27 | -51.81 | 3 | 8 | 1 | 90 | 409.466 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.38 | 5.75 | -14.93 | 2 | 8 | 0 | 89 | 408.458 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AKT1-2-E | RAC-alpha Serine/threonine-protein Kinase (cluster #2 Of 3), Eukaryotic | Eukaryotes | 7491 | 0.24 | Binding ≤ 10μM |
| ROCK1-1-E | Rho-associated Protein Kinase 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 56 | 0.34 | Binding ≤ 10μM |
| ROCK2-2-E | Rho-associated Protein Kinase 2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ROCK1_HUMAN | Q13464 | Rho-associated Protein Kinase 1, Human | 56 | 0.34 | Binding ≤ 1μM |
| ROCK2_HUMAN | O75116 | Rho-associated Protein Kinase 2, Human | 3.2 | 0.40 | Binding ≤ 1μM |
| ROCK1_HUMAN | Q13464 | Rho-associated Protein Kinase 1, Human | 56 | 0.34 | Binding ≤ 10μM |
| ROCK2_HUMAN | O75116 | Rho-associated Protein Kinase 2, Human | 3.2 | 0.40 | Binding ≤ 10μM |
| AKT1_HUMAN | P31749 | Serine/threonine-protein Kinase AKT, Human | 7491 | 0.24 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of BAD and translocation to mitochondria | |
| AKT phosphorylates targets in the cytosol | |
| AKT phosphorylates targets in the nucleus | |
| AKT-mediated inactivation of FOXO1A | |
| Apoptotic cleavage of cellular proteins | |
| Butyrate Response Factor 1 (BRF1) destabilizes mRNA | |
| CD28 dependent PI3K/Akt signaling | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CTLA4 inhibitory signaling | |
| deactivation of the beta-catenin transactivating complex | |
| Downregulation of ERBB2:ERBB3 signaling | |
| eNOS activation | |
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| G alpha (12/13) signalling events | |
| G beta:gamma signalling through PI3Kgamma | |
| GPVI-mediated activation cascade | |
| Integrin alphaIIb beta3 signaling | |
| KSRP destabilizes mRNA | |
| Negative regulation of the PI3K/AKT network | |
| PIP3 activates AKT signaling | |
| Sema4D induced cell migration and growth-cone collapse | |
| Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation | |
| Translocation of GLUT4 to the plasma membrane | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated vascular permeability |
No pre-computed analogs available. Try a structural similarity search.