| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2009 | 32 | No |
Popular Name: 7-benzyl-3-methyl-8-[(N'Z)-N'-[1-(4-nitrophenyl)ethylidene]hydrazino]purine-2,6-dione 7-benzyl-3-methyl-8-[(N'Z)-N'-[1…
| 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) | 2.66 | 12.63 | -15.62 | 2 | 11 | 0 | 143 | 433.428 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.12 | 10.08 | -57.86 | 1 | 11 | -1 | 146 | 432.42 | 6 | ↓ |
| 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 | 4600 | 0.23 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BRAF_HUMAN | P15056 | Serine/threonine-protein Kinase B-raf, Human | 4600 | 0.23 | Binding ≤ 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 |
