| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 25 | Yes |
Popular Name: DNC003755 DNC003755
| 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) | 3.34 | -1.68 | -9.33 | 3 | 5 | 0 | 76 | 334.354 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.34 | -1.42 | -81.02 | 5 | 5 | 2 | 79 | 336.37 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.34 | -1.57 | -38.28 | 4 | 5 | 1 | 78 | 335.362 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 52 | 0.41 | Binding ≤ 10μM |
| MK11-1-E | MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7 | 0.46 | Functional ≤ 10μM |
| MK12-1-E | MAP Kinase P38 Gamma (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7 | 0.46 | Functional ≤ 10μM |
| MK13-1-E | MAP Kinase P38 Delta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7 | 0.46 | Functional ≤ 10μM |
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7 | 0.46 | Functional ≤ 10μM |
| Z100081-1-O | PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 4), Other | Other | 6 | 0.46 | Functional ≤ 10μM |
| Z50466-2-O | Trypanosoma Cruzi (cluster #2 Of 8), Other | Other | 5000 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 52 | 0.41 | Binding ≤ 1μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 52 | 0.41 | Binding ≤ 10μM |
| MK14_MOUSE | P47811 | MAP Kinase P38 Alpha, Mouse | 1500 | 0.33 | Binding ≤ 10μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 6.3 | 0.46 | Functional ≤ 10μM |
| MK11_HUMAN | Q15759 | MAP Kinase P38 Beta, Human | 6.3 | 0.46 | Functional ≤ 10μM |
| MK13_HUMAN | O15264 | MAP Kinase P38 Delta, Human | 6.3 | 0.46 | Functional ≤ 10μM |
| MK12_HUMAN | P53778 | MAP Kinase P38 Gamma, Human | 6.3 | 0.46 | Functional ≤ 10μM |
| Z100081 | Z100081 | PBMC (Peripheral Blood Mononuclear Cells) | 23 | 0.43 | Functional ≤ 10μM |
| Z50466 | Z50466 | Trypanosoma Cruzi | 5000 | 0.30 | 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 |
No pre-computed analogs available. Try a structural similarity search.