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)
|
4.47 |
6.45 |
-48.85 |
3 |
7 |
-1 |
112 |
424.893 |
5 |
↓
|
|
Lo
Low (pH 4.5-6)
|
4.47 |
7 |
-13.29 |
4 |
7 |
0 |
110 |
425.901 |
5 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
MPIP1-2-E |
Dual Specificity Phosphatase Cdc25A (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
2300 |
0.27 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
MPIP1_HUMAN |
P30304
|
Dual Specificity Phosphatase Cdc25A, Human |
2300 |
0.27 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Activation of ATR in response to replication stress |
|
|
Cyclin A/B1 associated events during G2/M transition |
|
|
Cyclin A:Cdk2-associated events at S phase entry |
|
|
Cyclin B2 mediated events |
|
|
Cyclin E associated events during G1/S transition |
|
|
E2F mediated regulation of DNA replication |
|
|
E2F-enabled inhibition of pre-replication complex formation |
|
|
G0 and Early G1 |
|
|
G1/S-Specific Transcription |
|
|
p53-Independent DNA Damage Response |
|
|
Polo-like kinase mediated events |
|
|
Ubiquitin Mediated Degradation of Phosphorylated Cdc25A |
|
No pre-computed analogs available. Try a structural similarity search.
