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)
|
0.24 |
6.88 |
-27.69 |
1 |
5 |
1 |
59 |
348.378 |
1 |
↓
|
|
Hi
High (pH 8-9.5)
|
4.09 |
8.74 |
-18.59 |
0 |
5 |
0 |
56 |
347.37 |
2 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
ATM-1-E |
Serine-protein Kinase ATM (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
3200 |
0.30 |
Binding ≤ 10μM
|
|
PRKDC-1-E |
DNA-dependent Protein Kinase (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
1200 |
0.32 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
ATM mediated phosphorylation of repair proteins |
|
|
ATM mediated response to DNA double-strand break |
|
|
Autodegradation of the E3 ubiquitin ligase COP1 |
|
|
Cytosolic sensors of pathogen-associated DNA |
|
|
DNA Damage/Telomere Stress Induced Senescence |
|
|
G2/M DNA damage checkpoint |
|
|
IRF3-mediated induction of type I IFN |
|
|
Meiotic recombination |
|
|
Nonhomologous End-joining (NHEJ) |
|
|
Processing of DNA ends prior to end rejoining |
|
|
Recruitment of repair and signaling proteins to double-strand breaks |
|
|
Regulation of HSF1-mediated heat shock response |
|
|
Regulation of the Fanconi anemia pathway |
|
|
Stabilization of p53 |
|
|
Ubiquitin Mediated Degradation of Phosphorylated Cdc25A |
|
No pre-computed analogs available. Try a structural similarity search.
