| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2010 | 37 | Yes |
Popular Name: ethyl ethyl
| 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) | 3.79 | 11.83 | -23.53 | 1 | 9 | 0 | 101 | 493.571 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.79 | 12.29 | -45.87 | 2 | 9 | 1 | 103 | 494.579 | 5 | ↓ |
| 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 | 2 | 0.33 | Binding ≤ 10μM |
| Z103203-1-O | A375 (cluster #1 Of 3), Other | Other | 380 | 0.24 | Functional ≤ 10μM |
| Z80054-1-O | Caco-2 (Colon Adenocarcinoma Cells) (cluster #1 Of 4), Other | Other | 800 | 0.23 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BRAF_HUMAN | P15056 | Serine/threonine-protein Kinase B-raf, Human | 2 | 0.33 | Binding ≤ 1μM |
| BRAF_HUMAN | P15056 | Serine/threonine-protein Kinase B-raf, Human | 2 | 0.33 | Binding ≤ 10μM |
| Z103203 | Z103203 | A375 | 380 | 0.24 | Functional ≤ 10μM |
| Z80054 | Z80054 | Caco-2 (Colon Adenocarcinoma Cells) | 800 | 0.23 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| ARMS-mediated activation | |
| CREB phosphorylation through the activation of Ras | |
| Frs2-mediated activation | |
| Signalling to p38 via RIT and RIN | |
| Spry regulation of FGF signaling |
No pre-computed analogs available. Try a structural similarity search.