| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 30 | Yes |
Popular Name: N-(4-amino-5-cyano-6-ethoxy-2-pyridyl)-2-(2,5-dimethoxy-4-methylsulfonyl-phenyl)acetamide N-(4-amino-5-cyano-6-ethoxy-2-py…
| 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) | 1.19 | 1.58 | -27.73 | 3 | 10 | 0 | 154 | 434.474 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK01-1-E | Mitogen-activated Protein Kinase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5800 | 0.24 | Binding ≤ 10μM |
| MK08-1-E | Mitogen-activated Protein Kinase 8 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 38 | 0.35 | Binding ≤ 10μM |
| MK09-1-E | C-Jun N-terminal Kinase 2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 150 | 0.32 | Binding ≤ 10μM |
| MK08-1-E | C-Jun N-terminal Kinase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9 | 0.38 | Functional ≤ 10μM |
| MK09-1-E | C-Jun N-terminal Kinase 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9 | 0.38 | Functional ≤ 10μM |
| MK10-1-E | C-Jun N-terminal Kinase 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 72 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK08_HUMAN | P45983 | C-Jun N-terminal Kinase 1, Human | 3 | 0.40 | Binding ≤ 1μM |
| MK09_HUMAN | P45984 | C-Jun N-terminal Kinase 2, Human | 150 | 0.32 | Binding ≤ 1μM |
| MK08_HUMAN | P45983 | C-Jun N-terminal Kinase 1, Human | 3 | 0.40 | Binding ≤ 10μM |
| MK09_HUMAN | P45984 | C-Jun N-terminal Kinase 2, Human | 150 | 0.32 | Binding ≤ 10μM |
| MK01_HUMAN | P28482 | MAP Kinase ERK2, Human | 5800 | 0.24 | Binding ≤ 10μM |
| MK08_HUMAN | P45983 | C-Jun N-terminal Kinase 1, Human | 1300 | 0.27 | Functional ≤ 10μM |
| MK09_HUMAN | P45984 | C-Jun N-terminal Kinase 2, Human | 1300 | 0.27 | Functional ≤ 10μM |
| MK10_HUMAN | P53779 | C-Jun N-terminal Kinase 3, Human | 72 | 0.33 | 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 | |
| Advanced glycosylation endproduct receptor signaling | |
| CREB phosphorylation through the activation of Ras | |
| DSCAM interactions | |
| ERK/MAPK targets | |
| ERK2 activation | |
| ERKs are inactivated | |
| FCERI mediated MAPK activation | |
| Gastrin-CREB signalling pathway via PKC and MAPK | |
| Golgi Cisternae Pericentriolar Stack Reorganization | |
| Growth hormone receptor signaling | |
| JNK (c-Jun kinases) phosphorylation and activation mediated by activated human | |
| NCAM signaling for neurite out-growth | |
| Negative regulation of FGFR signaling | |
| NRAGE signals death through JNK | |
| NRIF signals cell death from the nucleus | |
| Oncogene Induced Senescence | |
| Oxidative Stress Induced Senescence | |
| phospho-PLA2 pathway | |
| Recycling pathway of L1 | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of HSF1-mediated heat shock response | |
| RSK activation | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| Signal attenuation | |
| Signal transduction by L1 | |
| Signaling by FGFR | |
| Thrombin signalling through proteinase activated receptors (PARs) |
No pre-computed analogs available. Try a structural similarity search.