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)
|
-0.31 |
8.47 |
-54.39 |
3 |
14 |
-1 |
200 |
506.455 |
9 |
↓
|
Mid
Mid (pH 6-8)
|
0.60 |
6.32 |
-107.94 |
2 |
14 |
-2 |
203 |
505.447 |
9 |
↓
|
Lo
Low (pH 4.5-6)
|
-0.31 |
8.93 |
-72.81 |
4 |
14 |
0 |
201 |
507.463 |
9 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
GRIA1-2-E |
Glutamate Receptor Ionotropic, AMPA 1 (cluster #2 Of 4), Eukaryotic |
Eukaryotes |
95 |
0.27 |
Binding ≤ 10μM |
GRIA2-1-E |
Glutamate Receptor Ionotropic, AMPA 2 (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
95 |
0.27 |
Binding ≤ 10μM |
GRIA3-1-E |
Glutamate Receptor Ionotropic, AMPA 3 (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
95 |
0.27 |
Binding ≤ 10μM |
GRIA4-1-E |
Glutamate Receptor Ionotropic, AMPA 4 (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
95 |
0.27 |
Binding ≤ 10μM |
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
GRIA1_HUMAN |
P42261
|
Glutamate Receptor Ionotropic, AMPA 1, Human |
95 |
0.27 |
Binding ≤ 1μM
|
GRIA2_HUMAN |
P42262
|
Glutamate Receptor Ionotropic, AMPA 2, Human |
95 |
0.27 |
Binding ≤ 1μM
|
GRIA3_HUMAN |
P42263
|
Glutamate Receptor Ionotropic, AMPA 3, Human |
95 |
0.27 |
Binding ≤ 1μM
|
GRIA4_HUMAN |
P48058
|
Glutamate Receptor Ionotropic, AMPA 4, Human |
95 |
0.27 |
Binding ≤ 1μM
|
GRIA1_HUMAN |
P42261
|
Glutamate Receptor Ionotropic, AMPA 1, Human |
95 |
0.27 |
Binding ≤ 10μM
|
GRIA2_HUMAN |
P42262
|
Glutamate Receptor Ionotropic, AMPA 2, Human |
95 |
0.27 |
Binding ≤ 10μM
|
GRIA3_HUMAN |
P42263
|
Glutamate Receptor Ionotropic, AMPA 3, Human |
95 |
0.27 |
Binding ≤ 10μM
|
GRIA4_HUMAN |
P48058
|
Glutamate Receptor Ionotropic, AMPA 4, Human |
95 |
0.27 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Activation of AMPA receptors |
|
Trafficking of AMPA receptors |
|
Trafficking of GluR2-containing AMPA receptors |
|
Unblocking of NMDA receptor, glutamate binding and activation |
|
No pre-computed analogs available. Try a structural similarity search.