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)
|
1.94 |
10.34 |
-110.31 |
0 |
5 |
-2 |
85 |
289.262 |
6 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
APEX1-1-E |
DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
9000 |
0.34 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
APEX1_HUMAN |
P27695
|
DNA-(apurinic Or Apyrimidinic Site) Lyase, Human |
9000 |
0.34 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Base-free sugar-phosphate removal via the single-nucleotide replacement pathway |
|
|
Displacement of DNA glycosylase by APE1 |
|
|
Removal of DNA patch containing abasic residue |
|
|
Resolution of AP sites via the multiple-nucleotide patch replacement pathway |
|
No pre-computed analogs available. Try a structural similarity search.
