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)
|
1.54 |
2.58 |
-34.72 |
6 |
5 |
1 |
95 |
226.263 |
1 |
↓
|
|
Mid
Mid (pH 6-8)
|
1.54 |
2.45 |
-12.06 |
5 |
5 |
0 |
94 |
225.255 |
1 |
↓
|
|
Mid
Mid (pH 6-8)
|
1.54 |
2.93 |
-36.43 |
6 |
5 |
1 |
95 |
226.263 |
1 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
PDPK1-2-E |
3-phosphoinositide Dependent Protein Kinase-1 (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
7280 |
0.42 |
Binding ≤ 10μM |
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
PDPK1_HUMAN |
O15530
|
3-phosphoinositide Dependent Protein Kinase-1, Human |
7280 |
0.42 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Activation of PKB |
|
|
CD28 dependent PI3K/Akt signaling |
|
|
Constitutive PI3K/AKT Signaling in Cancer |
|
|
CTLA4 inhibitory signaling |
|
|
Downstream TCR signaling |
|
|
FCERI mediated NF-kB activation |
|
|
G beta:gamma signalling through PI3Kgamma |
|
|
GPVI-mediated activation cascade |
|
|
Integrin alphaIIb beta3 signaling |
|
|
PIP3 activates AKT signaling |
|
|
Role of LAT2/NTAL/LAB on calcium mobilization |
|
|
RSK activation |
|
|
VEGFR2 mediated cell proliferation |
|
|
VEGFR2 mediated vascular permeability |
|
No pre-computed analogs available. Try a structural similarity search.
