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)
|
0.35 |
-3.5 |
-16.55 |
7 |
9 |
0 |
166 |
281.301 |
3 |
↓
|
|
Mid
Mid (pH 6-8)
|
0.35 |
-3.47 |
-45.16 |
8 |
9 |
1 |
167 |
282.309 |
3 |
↓
|
|
Mid
Mid (pH 6-8)
|
0.35 |
-4.81 |
-39.12 |
8 |
9 |
1 |
167 |
282.309 |
3 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
KS6A3-1-E |
Ribosomal Protein S6 Kinase Alpha 3 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
5500 |
0.39 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
KS6A3_HUMAN |
P51812
|
Ribosomal Protein S6 Kinase Alpha 3, Human |
5500 |
0.39 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
CREB phosphorylation |
|
|
CREB phosphorylation through the activation of Ras |
|
|
ERK/MAPK targets |
|
|
Gastrin-CREB signalling pathway via PKC and MAPK |
|
|
Recycling pathway of L1 |
|
|
RSK activation |
|
|
Senescence-Associated Secretory Phenotype (SASP) |
|
No pre-computed analogs available. Try a structural similarity search.
