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)
|
-1.46 |
4.57 |
-60.1 |
1 |
6 |
0 |
86 |
301.298 |
2 |
↓
|
|
Hi
High (pH 8-9.5)
|
2.39 |
6.43 |
-51.08 |
0 |
6 |
-1 |
83 |
300.29 |
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 |
7200 |
0.33 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
PRKDC_HUMAN |
P78527
|
DNA-dependent Protein Kinase, Human |
7200 |
0.33 |
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.
