| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2011 | 31 | Yes |
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CAS Number: 1112980-86-5
| 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) | 4.29 | 6.65 | -50.42 | 1 | 7 | -1 | 103 | 475.934 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.29 | 6.66 | -19.89 | 2 | 7 | 0 | 101 | 476.942 | 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 | 6 | 0.37 | Binding ≤ 10μM |
| MTOR-2-E | Serine/threonine-protein Kinase MTOR (cluster #2 Of 3), Eukaryotic | Eukaryotes | 2 | 0.39 | Binding ≤ 10μM |
| PK3C3-1-E | Phosphatidylinositol 3-kinase Catalytic Subunit Type 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 31 | 0.34 | Binding ≤ 10μM |
| PK3CA-2-E | PI3-kinase P110-alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1 | 0.41 | Binding ≤ 10μM |
| PK3CB-2-E | PI3-kinase P110-beta Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2 | 0.39 | Binding ≤ 10μM |
| PK3CD-2-E | PI3-kinase P110-delta Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1 | 0.41 | Binding ≤ 10μM |
| PK3CG-2-E | PI3-kinase P110-gamma Subunit (cluster #2 Of 3), Eukaryotic | Eukaryotes | 5 | 0.37 | Binding ≤ 10μM |
| PRKDC-1-E | DNA-dependent Protein Kinase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.38 | Binding ≤ 10μM |
| Z80390-1-O | PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other | Other | 47 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PRKDC_HUMAN | P78527 | DNA-dependent Protein Kinase, Human | 3 | 0.38 | Binding ≤ 1μM |
| MTOR_HUMAN | P42345 | FK506 Binding Protein 12, Human | 2 | 0.39 | Binding ≤ 1μM |
| PK3C3_HUMAN | Q8NEB9 | Phosphatidylinositol 3-kinase Catalytic Subunit Type 3, Human | 31 | 0.34 | Binding ≤ 1μM |
| PK3CA_HUMAN | P42336 | PI3-kinase P110-alpha Subunit, Human | 1.2 | 0.40 | Binding ≤ 1μM |
| PK3CB_HUMAN | P42338 | PI3-kinase P110-beta Subunit, Human | 2 | 0.39 | Binding ≤ 1μM |
| PK3CD_HUMAN | O00329 | PI3-kinase P110-delta Subunit, Human | 1.2 | 0.40 | Binding ≤ 1μM |
| PK3CG_HUMAN | P48736 | PI3-kinase P110-gamma Subunit, Human | 4.7 | 0.38 | Binding ≤ 1μM |
| AKT1_HUMAN | P31749 | Serine/threonine-protein Kinase AKT, Human | 6.3 | 0.37 | Binding ≤ 1μM |
| PRKDC_HUMAN | P78527 | DNA-dependent Protein Kinase, Human | 3 | 0.38 | Binding ≤ 10μM |
| MTOR_HUMAN | P42345 | FK506 Binding Protein 12, Human | 2 | 0.39 | Binding ≤ 10μM |
| PK3C3_HUMAN | Q8NEB9 | Phosphatidylinositol 3-kinase Catalytic Subunit Type 3, Human | 31 | 0.34 | Binding ≤ 10μM |
| PK3CA_HUMAN | P42336 | PI3-kinase P110-alpha Subunit, Human | 1.2 | 0.40 | Binding ≤ 10μM |
| PK3CB_HUMAN | P42338 | PI3-kinase P110-beta Subunit, Human | 2 | 0.39 | Binding ≤ 10μM |
| PK3CD_HUMAN | O00329 | PI3-kinase P110-delta Subunit, Human | 1.2 | 0.40 | Binding ≤ 10μM |
| PK3CG_HUMAN | P48736 | PI3-kinase P110-gamma Subunit, Human | 4.7 | 0.38 | Binding ≤ 10μM |
| AKT1_HUMAN | P31749 | Serine/threonine-protein Kinase AKT, Human | 6.3 | 0.37 | Binding ≤ 10μM |
| Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 47 | 0.33 | Functional ≤ 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 | |
| Antigen activates B Cell Receptor (BCR) leading to generation of second messenge | |
| Butyrate Response Factor 1 (BRF1) destabilizes mRNA | |
| CD28 dependent PI3K/Akt signaling | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| Costimulation by the CD28 family | |
| CTLA4 inhibitory signaling | |
| Cytosolic sensors of pathogen-associated DNA | |
| DAP12 signaling | |
| deactivation of the beta-catenin transactivating complex | |
| Downregulation of ERBB2:ERBB3 signaling | |
| Downstream signal transduction | |
| Downstream TCR signaling | |
| eNOS activation | |
| G alpha (12/13) signalling events | |
| G alpha (q) signalling events | |
| G beta:gamma signalling through PI3Kgamma | |
| GAB1 signalosome | |
| GPVI-mediated activation cascade | |
| HSF1-dependent transactivation | |
| Integrin alphaIIb beta3 signaling | |
| Interleukin receptor SHC signaling | |
| Interleukin-3, 5 and GM-CSF signaling | |
| IRF3-mediated induction of type I IFN | |
| KSRP destabilizes mRNA | |
| mTOR signalling | |
| Negative regulation of the PI3K/AKT network | |
| Nephrin interactions | |
| Nonhomologous End-joining (NHEJ) | |
| PI-3K cascade | |
| PI3K Cascade | |
| PI3K events in ERBB2 signaling | |
| PI3K events in ERBB4 signaling | |
| PI3K/AKT activation | |
| PIP3 activates AKT signaling | |
| Processing of DNA ends prior to end rejoining | |
| Regulation of signaling by CBL | |
| Release of eIF4E | |
| Role of LAT2/NTAL/LAB on calcium mobilization | |
| Role of phospholipids in phagocytosis | |
| S6K1-mediated signalling | |
| Signaling by constitutively active EGFR | |
| Signaling by FGFR mutants | |
| Signaling by FGFR1 fusion mutants | |
| Signaling by SCF-KIT | |
| Synthesis of PIPs at the early endosome membrane | |
| Synthesis of PIPs at the Golgi membrane | |
| Synthesis of PIPs at the late endosome membrane | |
| Synthesis of PIPs at the plasma membrane | |
| Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation | |
| Tie2 Signaling | |
| Toll Like Receptor 9 (TLR9) Cascade | |
| Translocation of GLUT4 to the plasma membrane | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated vascular permeability |
No pre-computed analogs available. Try a structural similarity search.