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)
|
5.72 |
13.1 |
-86.47 |
3 |
5 |
2 |
51 |
424.548 |
5 |
↓
|
|
Hi
High (pH 8-9.5)
|
5.72 |
10.3 |
-12.74 |
1 |
5 |
0 |
48 |
422.532 |
5 |
↓
|
|
Mid
Mid (pH 6-8)
|
5.72 |
10.74 |
-38.11 |
2 |
5 |
1 |
50 |
423.54 |
5 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
MAPK2-1-E |
MAP Kinase-activated Protein Kinase 2 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
1800 |
0.25 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
MAPK2_HUMAN |
P49137
|
MAP Kinase-activated Protein Kinase 2, Human |
1800 |
0.25 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
activated TAK1 mediates p38 MAPK activation |
|
|
Butyrate Response Factor 1 (BRF1) destabilizes mRNA |
|
|
CREB phosphorylation |
|
|
Oxidative Stress Induced Senescence |
|
|
p38MAPK events |
|
|
Regulation of HSF1-mediated heat shock response |
|
|
Synthesis of Leukotrienes (LT) and Eoxins (EX) |
|
|
Tristetraprolin (TTP) destabilizes mRNA |
|
|
VEGFA-VEGFR2 Pathway |
|
No pre-computed analogs available. Try a structural similarity search.
