| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2009 | 37 | 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) | 5.50 | 10.64 | -18.39 | 3 | 9 | 0 | 110 | 498.587 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABL1-1-E | Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic | Eukaryotes | 63 | 0.27 | Binding ≤ 10μM |
| BRAF-1-E | Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic | Eukaryotes | 237 | 0.25 | Binding ≤ 10μM |
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 1 | 0.34 | Binding ≤ 1μM |
| BRAF_HUMAN | P15056 | Serine/threonine-protein Kinase B-raf, Human | 236.7 | 0.25 | Binding ≤ 1μM |
| ABL1_MOUSE | P00520 | Tyrosine-protein Kinase ABL, Mouse | 62.6 | 0.27 | Binding ≤ 1μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 1 | 0.34 | Binding ≤ 10μM |
| BRAF_HUMAN | P15056 | Serine/threonine-protein Kinase B-raf, Human | 236.7 | 0.25 | Binding ≤ 10μM |
| ABL1_MOUSE | P00520 | Tyrosine-protein Kinase ABL, Mouse | 62.6 | 0.27 | Binding ≤ 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 | |
| ARMS-mediated activation | |
| CDO in myogenesis | |
| CREB phosphorylation through the activation of Ras | |
| DSCAM interactions | |
| ERK/MAPK targets | |
| Factors involved in megakaryocyte development and platelet production | |
| Frs2-mediated activation | |
| KSRP destabilizes mRNA | |
| NOD1/2 Signaling Pathway | |
| Oxidative Stress Induced Senescence | |
| p38MAPK events | |
| Platelet sensitization by LDL | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Role of Abl in Robo-Slit signaling | |
| Signalling to p38 via RIT and RIN | |
| Spry regulation of FGF signaling | |
| VEGFA-VEGFR2 Pathway |
