| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 7th, 2010 | 29 | No |
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) | 1.97 | 3.17 | -42.55 | 1 | 9 | -1 | 121 | 420.398 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.97 | 4.29 | -112.3 | 0 | 9 | -2 | 124 | 419.39 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.97 | 2.98 | -21.64 | 2 | 9 | 0 | 119 | 421.406 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK10-1-E | C-Jun N-terminal Kinase 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 460 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK10_HUMAN | P53779 | C-Jun N-terminal Kinase 3, Human | 460 | 0.31 | Binding ≤ 1μM |
| MK10_HUMAN | P53779 | C-Jun N-terminal Kinase 3, Human | 460 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of the AP-1 family of transcription factors | |
| FCERI mediated MAPK activation | |
| JNK (c-Jun kinases) phosphorylation and activation mediated by activated human | |
| Oxidative Stress Induced Senescence |
