| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 20 | No |
Popular Name: (4Z)-4-[(E)-3-phenylprop-2-enylidene]-3-(2-thienyl)-2-isoxazolin-5-one (4Z)-4-[(E)-3-phenylprop-2-enyli…
| 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) | 3.61 | 10.3 | -14.97 | 0 | 3 | 0 | 43 | 281.336 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KPCA-1-E | Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic | Eukaryotes | 1000 | 0.42 | Binding ≤ 10μM |
| KPCB-1-E | Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1000 | 0.42 | Binding ≤ 10μM |
| KPCD-1-E | Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1000 | 0.42 | Binding ≤ 10μM |
| KPCT-3-E | Protein Kinase C Theta (cluster #3 Of 3), Eukaryotic | Eukaryotes | 1000 | 0.42 | Binding ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 3000 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KPCA_HUMAN | P17252 | Protein Kinase C Alpha, Human | 1000 | 0.42 | Binding ≤ 1μM |
| KPCB_HUMAN | P05771 | Protein Kinase C Beta, Human | 1000 | 0.42 | Binding ≤ 1μM |
| KPCD_HUMAN | Q05655 | Protein Kinase C Delta, Human | 1000 | 0.42 | Binding ≤ 1μM |
| KPCT_HUMAN | Q04759 | Protein Kinase C Theta, Human | 1000 | 0.42 | Binding ≤ 1μM |
| KPCA_HUMAN | P17252 | Protein Kinase C Alpha, Human | 1000 | 0.42 | Binding ≤ 10μM |
| KPCB_HUMAN | P05771 | Protein Kinase C Beta, Human | 1000 | 0.42 | Binding ≤ 10μM |
| KPCD_HUMAN | Q05655 | Protein Kinase C Delta, Human | 1000 | 0.42 | Binding ≤ 10μM |
| KPCT_HUMAN | Q04759 | Protein Kinase C Theta, Human | 1000 | 0.42 | Binding ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 3000 | 0.39 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Acetylcholine regulates insulin secretion | |
| Activation of NF-kappaB in B cells | |
| Apoptotic cleavage of cellular proteins | |
| Ca2+ pathway | |
| Calmodulin induced events | |
| DAG and IP3 signaling | |
| Depolymerisation of the Nuclear Lamina | |
| Disinhibition of SNARE formation | |
| Downstream TCR signaling | |
| Effects of PIP2 hydrolysis | |
| EGFR Transactivation by Gastrin | |
| FCERI mediated NF-kB activation | |
| G alpha (z) signalling events | |
| HuR stabilizes mRNA | |
| Inactivation, recovery and regulation of the phototransduction cascade | |
| Interferon gamma signaling | |
| Netrin-1 signaling | |
| Regulation of KIT signaling | |
| Response to elevated platelet cytosolic Ca2+ | |
| Role of phospholipids in phagocytosis | |
| Signaling by SCF-KIT | |
| Syndecan interactions | |
| Trafficking of GluR2-containing AMPA receptors | |
| VEGFR2 mediated cell proliferation | |
| WNT5A-dependent internalization of FZD4 |
No pre-computed analogs available. Try a structural similarity search.