| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2010 | 38 | 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) | 5.51 | 15.61 | -52.14 | 2 | 6 | 1 | 64 | 516.547 | 7 | ↓ |
| 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 | 24 | 0.28 | Binding ≤ 10μM |
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 216 | 0.25 | Binding ≤ 10μM |
| RAF1-1-E | Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic | Eukaryotes | 25 | 0.28 | Binding ≤ 10μM |
| Z80166-4-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #4 Of 12), Other | Other | 920 | 0.22 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 216 | 0.25 | Binding ≤ 1μM |
| BRAF_HUMAN | P15056 | Serine/threonine-protein Kinase B-raf, Human | 24 | 0.28 | Binding ≤ 1μM |
| RAF1_HUMAN | P04049 | Serine/threonine-protein Kinase RAF, Human | 25 | 0.28 | Binding ≤ 1μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 216 | 0.25 | Binding ≤ 10μM |
| BRAF_HUMAN | P15056 | Serine/threonine-protein Kinase B-raf, Human | 24 | 0.28 | Binding ≤ 10μM |
| RAF1_HUMAN | P04049 | Serine/threonine-protein Kinase RAF, Human | 25 | 0.28 | Binding ≤ 10μM |
| Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 920 | 0.22 | 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 | |
| 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.