| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2009 | 22 | 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) | 2.98 | 4.03 | -14.97 | 1 | 5 | 0 | 58 | 313.382 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.98 | 4.35 | -28.48 | 2 | 5 | 1 | 60 | 314.39 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KAPCA-1-E | CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #1 Of 4), Eukaryotic | Eukaryotes | 3400 | 0.35 | Binding ≤ 10μM |
| KAPCB-1-E | CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3400 | 0.35 | Binding ≤ 10μM |
| KAPCG-1-E | CAMP-dependent Protein Kinase, Gamma Catalytic Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3400 | 0.35 | Binding ≤ 10μM |
| KCC2A-1-E | CaM Kinase II Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 370 | 0.41 | Binding ≤ 10μM |
| KCC2B-1-E | CaM Kinase II Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 370 | 0.41 | Binding ≤ 10μM |
| KCC2G-1-E | CaM Kinase II Gamma (cluster #1 Of 1), Eukaryotic | Eukaryotes | 370 | 0.41 | Binding ≤ 10μM |
| MTOR-2-E | Serine/threonine-protein Kinase MTOR (cluster #2 Of 3), Eukaryotic | Eukaryotes | 49 | 0.47 | Binding ≤ 10μM |
| P3C2B-1-E | Phosphatidylinositol-4-phosphate 3-kinase C2 Domain-containing Beta Polypeptide (cluster #1 Of 1), Eukaryotic | Eukaryotes | 220 | 0.42 | Binding ≤ 10μM |
| PK3CA-2-E | PI3-kinase P110-alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3 | 0.54 | Binding ≤ 10μM |
| PK3CB-2-E | PI3-kinase P110-beta Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 16 | 0.50 | Binding ≤ 10μM |
| PK3CG-2-E | PI3-kinase P110-gamma Subunit (cluster #2 Of 3), Eukaryotic | Eukaryotes | 660 | 0.39 | Binding ≤ 10μM |
| Z103203-1-O | A375 (cluster #1 Of 3), Other | Other | 580 | 0.40 | Functional ≤ 10μM |
| Z81034-1-O | A2780 (Ovarian Carcinoma Cells) (cluster #1 Of 10), Other | Other | 270 | 0.42 | Functional ≤ 10μM |
| Z81170-1-O | LNCaP (Prostate Carcinoma) (cluster #1 Of 5), Other | Other | 1300 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCC2A_MOUSE | P11798 | CaM Kinase II Alpha, Mouse | 370 | 0.41 | Binding ≤ 1μM |
| KCC2B_MOUSE | P28652 | CaM Kinase II Beta, Mouse | 370 | 0.41 | Binding ≤ 1μM |
| KCC2G_MOUSE | Q923T9 | CaM Kinase II Gamma, Mouse | 370 | 0.41 | Binding ≤ 1μM |
| MTOR_HUMAN | P42345 | FK506 Binding Protein 12, Human | 49 | 0.47 | Binding ≤ 1μM |
| P3C2B_HUMAN | O00750 | Phosphatidylinositol-4-phosphate 3-kinase C2 Domain-containing Beta Polypeptide, Human | 220 | 0.42 | Binding ≤ 1μM |
| PK3CA_HUMAN | P42336 | PI3-kinase P110-alpha Subunit, Human | 41 | 0.47 | Binding ≤ 1μM |
| PK3CA_BOVIN | P32871 | PI3-kinase P110-alpha Subunit, Bovin | 2.5 | 0.55 | Binding ≤ 1μM |
| PK3CB_HUMAN | P42338 | PI3-kinase P110-beta Subunit, Human | 16 | 0.50 | Binding ≤ 1μM |
| PK3CG_HUMAN | P48736 | PI3-kinase P110-gamma Subunit, Human | 660 | 0.39 | Binding ≤ 1μM |
| KCC2A_MOUSE | P11798 | CaM Kinase II Alpha, Mouse | 370 | 0.41 | Binding ≤ 10μM |
| KCC2B_MOUSE | P28652 | CaM Kinase II Beta, Mouse | 370 | 0.41 | Binding ≤ 10μM |
| KCC2G_MOUSE | Q923T9 | CaM Kinase II Gamma, Mouse | 370 | 0.41 | Binding ≤ 10μM |
| KAPCA_HUMAN | P17612 | CAMP-dependent Protein Kinase Alpha-catalytic Subunit, Human | 3400 | 0.35 | Binding ≤ 10μM |
| KAPCB_HUMAN | P22694 | CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit, Human | 3400 | 0.35 | Binding ≤ 10μM |
| KAPCG_HUMAN | P22612 | CAMP-dependent Protein Kinase, Gamma Catalytic Subunit, Human | 3400 | 0.35 | Binding ≤ 10μM |
| MTOR_HUMAN | P42345 | FK506 Binding Protein 12, Human | 49 | 0.47 | Binding ≤ 10μM |
| P3C2B_HUMAN | O00750 | Phosphatidylinositol-4-phosphate 3-kinase C2 Domain-containing Beta Polypeptide, Human | 220 | 0.42 | Binding ≤ 10μM |
| PK3CA_BOVIN | P32871 | PI3-kinase P110-alpha Subunit, Bovin | 2.5 | 0.55 | Binding ≤ 10μM |
| PK3CA_HUMAN | P42336 | PI3-kinase P110-alpha Subunit, Human | 41 | 0.47 | Binding ≤ 10μM |
| PK3CB_HUMAN | P42338 | PI3-kinase P110-beta Subunit, Human | 16 | 0.50 | Binding ≤ 10μM |
| PK3CG_HUMAN | P48736 | PI3-kinase P110-gamma Subunit, Human | 660 | 0.39 | Binding ≤ 10μM |
| Z81034 | Z81034 | A2780 (Ovarian Carcinoma Cells) | 270 | 0.42 | Functional ≤ 10μM |
| Z103203 | Z103203 | A375 | 580 | 0.40 | Functional ≤ 10μM |
| Z81170 | Z81170 | LNCaP (Prostate Carcinoma) | 1300 | 0.37 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Ca2+ pathway | |
| CD28 dependent PI3K/Akt signaling | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| Costimulation by the CD28 family | |
| CREB phosphorylation through the activation of Adenylate Cyclase | |
| CREB phosphorylation through the activation of CaMKII | |
| CREB phosphorylation through the activation of Ras | |
| DAP12 signaling | |
| DARPP-32 events | |
| Downstream signal transduction | |
| Downstream TCR signaling | |
| Factors involved in megakaryocyte development and platelet production | |
| G alpha (12/13) signalling events | |
| G alpha (q) signalling events | |
| G beta:gamma signalling through PI3Kgamma | |
| GAB1 signalosome | |
| Glucagon-like Peptide-1 (GLP1) regulates insulin secretion | |
| Gluconeogenesis | |
| GPVI-mediated activation cascade | |
| Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis | |
| HSF1-dependent transactivation | |
| Interferon gamma signaling | |
| Interleukin receptor SHC signaling | |
| Interleukin-3, 5 and GM-CSF signaling | |
| Loss of Nlp from mitotic centrosomes | |
| Loss of proteins required for interphase microtubule organization from the ce | |
| mTOR signalling | |
| Nephrin interactions | |
| PI-3K cascade | |
| PI3K Cascade | |
| PI3K events in ERBB2 signaling | |
| PI3K events in ERBB4 signaling | |
| PI3K/AKT activation | |
| PIP3 activates AKT signaling | |
| PKA activation | |
| PKA activation in glucagon signalling | |
| PKA-mediated phosphorylation of CREB | |
| PKA-mediated phosphorylation of key metabolic factors | |
| Rap1 signalling | |
| Ras activation uopn Ca2+ infux through NMDA receptor | |
| Recruitment of mitotic centrosome proteins and complexes | |
| Regulation of insulin secretion | |
| Regulation of PLK1 Activity at G2/M Transition | |
| 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 plasma membrane | |
| Tie2 Signaling | |
| Unblocking of NMDA receptor, glutamate binding and activation | |
| Vasopressin regulates renal water homeostasis via Aquaporins | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated vascular permeability |
No pre-computed analogs available. Try a structural similarity search.