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)
|
-1.47 |
4.42 |
-32.86 |
1 |
5 |
1 |
63 |
300.334 |
2 |
↓
|
|
Hi
High (pH 8-9.5)
|
2.38 |
6.28 |
-15.77 |
0 |
5 |
0 |
60 |
299.326 |
3 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
PRKDC-1-E |
DNA-dependent Protein Kinase (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
4700 |
0.34 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
PRKDC_HUMAN |
P78527
|
DNA-dependent Protein Kinase, Human |
4700 |
0.34 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Cytosolic sensors of pathogen-associated DNA |
|
|
IRF3-mediated induction of type I IFN |
|
|
Nonhomologous End-joining (NHEJ) |
|
|
Processing of DNA ends prior to end rejoining |
|
No pre-computed analogs available. Try a structural similarity search.
