| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 26 | Yes |
Popular Name: 4-amino-5-cyano-6-ethoxy-N-[(2-sulfamoylphenyl)methyl]pyridine-2-carboxamide 4-amino-5-cyano-6-ethoxy-N-[(2-s…
| 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) | 0.28 | -1.22 | -16.06 | 5 | 9 | 0 | 161 | 375.41 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK08-1-E | Mitogen-activated Protein Kinase 8 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 12 | 0.43 | Binding ≤ 10μM |
| MK09-1-E | C-Jun N-terminal Kinase 2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 53 | 0.39 | Binding ≤ 10μM |
| MK10-1-E | C-Jun N-terminal Kinase 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 37 | 0.40 | Binding ≤ 10μM |
| MK08-1-E | C-Jun N-terminal Kinase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 110 | 0.37 | Functional ≤ 10μM |
| MK09-1-E | C-Jun N-terminal Kinase 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 110 | 0.37 | Functional ≤ 10μM |
| MK10-1-E | C-Jun N-terminal Kinase 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 110 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK08_HUMAN | P45983 | C-Jun N-terminal Kinase 1, Human | 12 | 0.43 | Binding ≤ 1μM |
| MK09_HUMAN | P45984 | C-Jun N-terminal Kinase 2, Human | 53 | 0.39 | Binding ≤ 1μM |
| MK10_HUMAN | P53779 | C-Jun N-terminal Kinase 3, Human | 37 | 0.40 | Binding ≤ 1μM |
| MK08_HUMAN | P45983 | C-Jun N-terminal Kinase 1, Human | 12 | 0.43 | Binding ≤ 10μM |
| MK09_HUMAN | P45984 | C-Jun N-terminal Kinase 2, Human | 53 | 0.39 | Binding ≤ 10μM |
| MK10_HUMAN | P53779 | C-Jun N-terminal Kinase 3, Human | 37 | 0.40 | Binding ≤ 10μM |
| MK08_HUMAN | P45983 | C-Jun N-terminal Kinase 1, Human | 110 | 0.37 | Functional ≤ 10μM |
| MK09_HUMAN | P45984 | C-Jun N-terminal Kinase 2, Human | 110 | 0.37 | Functional ≤ 10μM |
| MK10_HUMAN | P53779 | C-Jun N-terminal Kinase 3, Human | 110 | 0.37 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of BIM and translocation to mitochondria | |
| Activation of BMF and translocation to mitochondria | |
| Activation of the AP-1 family of transcription factors | |
| DSCAM interactions | |
| FCERI mediated MAPK activation | |
| JNK (c-Jun kinases) phosphorylation and activation mediated by activated human | |
| NRAGE signals death through JNK | |
| NRIF signals cell death from the nucleus | |
| Oxidative Stress Induced Senescence |
No pre-computed analogs available. Try a structural similarity search.