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)
|
2.94 |
7.22 |
-8.06 |
0 |
3 |
0 |
29 |
278.153 |
2 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
GBRA1-1-E |
GABA Receptor Alpha-1 Subunit (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
55 |
0.64 |
Binding ≤ 10μM
|
GBRA3-1-E |
GABA Receptor Alpha-3 Subunit (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
120 |
0.61 |
Binding ≤ 10μM
|
GBRA5-1-E |
GABA Receptor Alpha-5 Subunit (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
51 |
0.64 |
Binding ≤ 10μM
|
GBRB3-1-E |
GABA Receptor Beta-3 Subunit (cluster #1 Of 6), Eukaryotic |
Eukaryotes |
55 |
0.64 |
Binding ≤ 10μM
|
GBRG2-1-E |
GABA Receptor Gamma-2 Subunit (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
55 |
0.64 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
GBRA1_HUMAN |
P14867
|
GABA Receptor Alpha-1 Subunit, Human |
55 |
0.64 |
Binding ≤ 1μM
|
GBRA3_HUMAN |
P34903
|
GABA Receptor Alpha-3 Subunit, Human |
120 |
0.61 |
Binding ≤ 1μM
|
GBRA5_HUMAN |
P31644
|
GABA Receptor Alpha-5 Subunit, Human |
51 |
0.64 |
Binding ≤ 1μM
|
GBRB3_HUMAN |
P28472
|
GABA Receptor Beta-3 Subunit, Human |
120 |
0.61 |
Binding ≤ 1μM
|
GBRG2_HUMAN |
P18507
|
GABA Receptor Gamma-2 Subunit, Human |
120 |
0.61 |
Binding ≤ 1μM
|
GBRA1_HUMAN |
P14867
|
GABA Receptor Alpha-1 Subunit, Human |
55 |
0.64 |
Binding ≤ 10μM
|
GBRA3_HUMAN |
P34903
|
GABA Receptor Alpha-3 Subunit, Human |
120 |
0.61 |
Binding ≤ 10μM
|
GBRA5_HUMAN |
P31644
|
GABA Receptor Alpha-5 Subunit, Human |
51 |
0.64 |
Binding ≤ 10μM
|
GBRB3_HUMAN |
P28472
|
GABA Receptor Beta-3 Subunit, Human |
120 |
0.61 |
Binding ≤ 10μM
|
GBRG2_HUMAN |
P18507
|
GABA Receptor Gamma-2 Subunit, Human |
120 |
0.61 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
GABA A receptor activation |
|
Ligand-gated ion channel transport |
|
No pre-computed analogs available. Try a structural similarity search.