| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 24 | Yes |
| 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) | 3.62 | 7.29 | -10.09 | 2 | 4 | 0 | 62 | 313.36 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.62 | 7.6 | -33.35 | 3 | 4 | 1 | 63 | 314.368 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.62 | 7.49 | -37.66 | 3 | 4 | 1 | 63 | 314.368 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.62 | 7.89 | -89.87 | 4 | 4 | 2 | 64 | 315.376 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BRAF-1-E | Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic | Eukaryotes | 339 | 0.38 | Binding ≤ 10μM |
| MK11-1-E | MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1400 | 0.34 | Binding ≤ 10μM |
| MK12-1-E | MAP Kinase P38 Gamma (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1400 | 0.34 | Binding ≤ 10μM |
| MK13-1-E | MAP Kinase P38 Delta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1400 | 0.34 | Binding ≤ 10μM |
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1400 | 0.34 | Binding ≤ 10μM |
| RAF1-1-E | Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic | Eukaryotes | 390 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BRAF_HUMAN | P15056 | Serine/threonine-protein Kinase B-raf, Human | 316 | 0.38 | Binding ≤ 1μM |
| RAF1_HUMAN | P04049 | Serine/threonine-protein Kinase RAF, Human | 390 | 0.37 | Binding ≤ 1μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 1400 | 0.34 | Binding ≤ 10μM |
| MK11_HUMAN | Q15759 | MAP Kinase P38 Beta, Human | 1400 | 0.34 | Binding ≤ 10μM |
| MK13_HUMAN | O15264 | MAP Kinase P38 Delta, Human | 1400 | 0.34 | Binding ≤ 10μM |
| MK12_HUMAN | P53778 | MAP Kinase P38 Gamma, Human | 1400 | 0.34 | Binding ≤ 10μM |
| BRAF_HUMAN | P15056 | Serine/threonine-protein Kinase B-raf, Human | 316 | 0.38 | Binding ≤ 10μM |
| RAF1_HUMAN | P04049 | Serine/threonine-protein Kinase RAF, Human | 390 | 0.37 | 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 | |
| Frs2-mediated activation | |
| GP1b-IX-V activation signalling | |
| KSRP destabilizes mRNA | |
| MEK activation | |
| NOD1/2 Signaling Pathway | |
| Oxidative Stress Induced Senescence | |
| p38MAPK events | |
| Platelet sensitization by LDL | |
| RAF activation | |
| RAF phosphorylates MEK | |
| Rap1 signalling | |
| Signalling to p38 via RIT and RIN | |
| Spry regulation of FGF signaling | |
| Stimuli-sensing channels | |
| VEGFA-VEGFR2 Pathway |
No pre-computed analogs available. Try a structural similarity search.
