| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 1st, 2008 | 25 | 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) | 0.20 | 3.16 | -47.6 | 5 | 9 | 1 | 124 | 343.415 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.20 | 5.01 | -185.85 | 7 | 9 | 3 | 130 | 345.431 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.20 | 3.06 | -48.75 | 5 | 9 | 1 | 124 | 343.415 | 5 | ↓ |
| 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 | 200 | 0.38 | Binding ≤ 10μM |
| AKT2-2-E | Serine/threonine-protein Kinase AKT2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 741 | 0.34 | Binding ≤ 10μM |
| AKT3-2-E | Serine/threonine-protein Kinase AKT3 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 646 | 0.35 | Binding ≤ 10μM |
| DYR1A-1-E | Dual Specificity Tyrosine-phosphorylation-regulated Kinase 1A (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4900 | 0.30 | Binding ≤ 10μM |
| KS6A5-1-E | Ribosomal Protein S6 Kinase Alpha 5 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 8 | 0.45 | Binding ≤ 10μM |
| KS6B1-1-E | Ribosomal Protein S6 Kinase 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 270 | 0.37 | Binding ≤ 10μM |
| ROCK1-1-E | Rho-associated Protein Kinase 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 38 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ROCK1_RAT | Q63644 | Rho-associated Protein Kinase 1, Rat | 38 | 0.42 | Binding ≤ 1μM |
| ROCK1_HUMAN | Q13464 | Rho-associated Protein Kinase 1, Human | 100 | 0.39 | Binding ≤ 1μM |
| KS6B1_HUMAN | P23443 | Ribosomal Protein S6 Kinase 1, Human | 270 | 0.37 | Binding ≤ 1μM |
| KS6A5_HUMAN | O75582 | Ribosomal Protein S6 Kinase Alpha 5, Human | 0.5 | 0.52 | Binding ≤ 1μM |
| AKT1_HUMAN | P31749 | Serine/threonine-protein Kinase AKT, Human | 200 | 0.38 | Binding ≤ 1μM |
| AKT2_HUMAN | P31751 | Serine/threonine-protein Kinase AKT2, Human | 741 | 0.34 | Binding ≤ 1μM |
| AKT3_HUMAN | Q9Y243 | Serine/threonine-protein Kinase AKT3, Human | 646 | 0.35 | Binding ≤ 1μM |
| DYR1A_HUMAN | Q13627 | Dual-specificity Tyrosine-phosphorylation Regulated Kinase 1A, Human | 4900 | 0.30 | Binding ≤ 10μM |
| ROCK1_RAT | Q63644 | Rho-associated Protein Kinase 1, Rat | 38 | 0.42 | Binding ≤ 10μM |
| ROCK1_HUMAN | Q13464 | Rho-associated Protein Kinase 1, Human | 100 | 0.39 | Binding ≤ 10μM |
| KS6B1_HUMAN | P23443 | Ribosomal Protein S6 Kinase 1, Human | 270 | 0.37 | Binding ≤ 10μM |
| KS6A5_HUMAN | O75582 | Ribosomal Protein S6 Kinase Alpha 5, Human | 0.5 | 0.52 | Binding ≤ 10μM |
| AKT1_HUMAN | P31749 | Serine/threonine-protein Kinase AKT, Human | 200 | 0.38 | Binding ≤ 10μM |
| AKT2_HUMAN | P31751 | Serine/threonine-protein Kinase AKT2, Human | 741 | 0.34 | Binding ≤ 10μM |
| AKT3_HUMAN | Q9Y243 | Serine/threonine-protein Kinase AKT3, Human | 646 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of BAD and translocation to mitochondria | |
| Activation of PKB | |
| 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 | |
| CREB phosphorylation | |
| 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 | |
| ERK/MAPK targets | |
| G alpha (12/13) signalling events | |
| G beta:gamma signalling through PI3Kgamma | |
| G0 and Early G1 | |
| GPVI-mediated activation cascade | |
| Inhibition of TSC complex formation by PKB | |
| Integrin alphaIIb beta3 signaling | |
| KSRP destabilizes mRNA | |
| NCAM signaling for neurite out-growth | |
| Negative regulation of the PI3K/AKT network | |
| PDE3B signalling | |
| PIP3 activates AKT signaling | |
| Recycling pathway of L1 | |
| S6K1 signalling | |
| S6K1-mediated signalling | |
| 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.