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)
|
1.49 |
1.49 |
-23.14 |
3 |
7 |
0 |
123 |
475.386 |
8 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
DNLI1-1-E |
DNA Ligase 1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
8000 |
0.26 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Gap-filling DNA repair synthesis and ligation in GG-NER |
|
|
Gap-filling DNA repair synthesis and ligation in TC-NER |
|
|
Mismatch repair (MMR) directed by MSH2:MSH3 (MutSbeta) |
|
|
Mismatch repair (MMR) directed by MSH2:MSH6 (MutSalpha) |
|
|
Processive synthesis on the C-strand of the telomere |
|
|
Processive synthesis on the lagging strand |
|
|
Removal of DNA patch containing abasic residue |
|
|
Resolution of AP sites via the multiple-nucleotide patch replacement pathway |
|
|
Resolution of D-loop structures through Holliday junction intermediates |
|
No pre-computed analogs available. Try a structural similarity search.
