Physical Representations
|
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)
|
3.26 |
6.16 |
-13.79 |
2 |
7 |
0 |
85 |
364.405 |
6 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
BRAF-1-E |
Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
8800 |
0.26 |
Functional ≤ 10μM
|
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
BRAF_HUMAN |
P15056
|
Serine/threonine-protein Kinase B-raf, Human |
8800 |
0.26 |
Functional ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| 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.
