| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 26 | No |
Popular Name: methylBLAHdione methylBLAHdione
None
| 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) | 4.17 | 6.34 | -11.13 | 3 | 5 | 0 | 82 | 339.354 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCC2A-1-E | CaM Kinase II Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 82 | 0.38 | Binding ≤ 10μM |
| KCC2B-1-E | CaM Kinase II Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 82 | 0.38 | Binding ≤ 10μM |
| Z104295-1-O | Cyclin-dependent Kinase 4/cyclin D1 (cluster #1 Of 2), Other | Other | 226 | 0.36 | Binding ≤ 10μM |
| Z80928-5-O | HCT-116 (Colon Carcinoma Cells) (cluster #5 Of 9), Other | Other | 4540 | 0.29 | Functional ≤ 10μM |
| Z81024-8-O | NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #8 Of 8), Other | Other | 4220 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCC2A_HUMAN | Q9UQM7 | CaM Kinase II Alpha, Human | 82 | 0.38 | Binding ≤ 1μM |
| KCC2B_HUMAN | Q13554 | CaM Kinase II Beta, Human | 82 | 0.38 | Binding ≤ 1μM |
| Z104295 | Z104295 | Cyclin-dependent Kinase 4/cyclin D1 | 226 | 0.36 | Binding ≤ 1μM |
| KCC2A_HUMAN | Q9UQM7 | CaM Kinase II Alpha, Human | 82 | 0.38 | Binding ≤ 10μM |
| KCC2B_HUMAN | Q13554 | CaM Kinase II Beta, Human | 82 | 0.38 | Binding ≤ 10μM |
| Z104295 | Z104295 | Cyclin-dependent Kinase 4/cyclin D1 | 226 | 0.36 | Binding ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 4540 | 0.29 | Functional ≤ 10μM |
| Z81024 | Z81024 | NCI-H460 (Non-small Cell Lung Carcinoma) | 4220 | 0.29 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Ca2+ pathway | |
| CREB phosphorylation through the activation of CaMKII | |
| CREB phosphorylation through the activation of Ras | |
| HSF1-dependent transactivation | |
| Interferon gamma signaling | |
| Ras activation uopn Ca2+ infux through NMDA receptor | |
| Trafficking of AMPA receptors | |
| Unblocking of NMDA receptor, glutamate binding and activation |
