| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2009 | 30 | Yes |
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) | 3.02 | 9.84 | -17.71 | 3 | 8 | 0 | 100 | 406.49 | 7 | ↓ |
| Ref Reference (pH 7) | 3.16 | 7.14 | -76.05 | 5 | 8 | 2 | 111 | 408.506 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 5.01 | -12.41 | 3 | 8 | 0 | 107 | 406.49 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 6.3 | -38.07 | 4 | 8 | 1 | 109 | 407.498 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 13 | 0.37 | Binding ≤ 10μM |
| Z100081-1-O | PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 4), Other | Other | 50 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 13 | 0.37 | Binding ≤ 1μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 13 | 0.37 | Binding ≤ 10μM |
| Z100081 | Z100081 | PBMC (Peripheral Blood Mononuclear Cells) | 50 | 0.34 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| activated TAK1 mediates p38 MAPK activation | |
| Activation of PPARGC1A (PGC-1alpha) by phosphorylation | |
| Activation of the AP-1 family of transcription factors | |
| ADP signalling through P2Y purinoceptor 1 | |
| CDO in myogenesis | |
| DSCAM interactions | |
| ERK/MAPK targets | |
| KSRP destabilizes mRNA | |
| NOD1/2 Signaling Pathway | |
| Oxidative Stress Induced Senescence | |
| p38MAPK events | |
| Platelet sensitization by LDL | |
| VEGFA-VEGFR2 Pathway |
