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)
|
2.12 |
-1.41 |
-8.78 |
2 |
4 |
0 |
61 |
278.311 |
4 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
GBRA1-6-E |
GABA Receptor Alpha-1 Subunit (cluster #6 Of 8), Eukaryotic |
Eukaryotes |
346 |
0.43 |
Binding ≤ 10μM
|
GBRA2-5-E |
GABA Receptor Alpha-2 Subunit (cluster #5 Of 8), Eukaryotic |
Eukaryotes |
120 |
0.46 |
Binding ≤ 10μM
|
GBRA3-7-E |
GABA Receptor Alpha-3 Subunit (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
120 |
0.46 |
Binding ≤ 10μM
|
GBRA4-1-E |
GABA Receptor Alpha-4 Subunit (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
120 |
0.46 |
Binding ≤ 10μM
|
GBRB1-1-E |
GABA Receptor Beta-1 Subunit (cluster #1 Of 6), Eukaryotic |
Eukaryotes |
120 |
0.46 |
Binding ≤ 10μM
|
GBRB2-6-E |
GABA Receptor Beta-2 Subunit (cluster #6 Of 7), Eukaryotic |
Eukaryotes |
346 |
0.43 |
Binding ≤ 10μM
|
GBRG2-2-E |
GABA Receptor Gamma-2 Subunit (cluster #2 Of 7), Eukaryotic |
Eukaryotes |
120 |
0.46 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
GBRA1_RAT |
P62813
|
GABA Receptor Alpha-1 Subunit, Rat |
346 |
0.43 |
Binding ≤ 1μM
|
GBRA1_BOVIN |
P08219
|
GABA Receptor Alpha-1 Subunit, Bovin |
120 |
0.46 |
Binding ≤ 1μM
|
GBRA2_BOVIN |
P10063
|
GABA Receptor Alpha-2 Subunit, Bovin |
120 |
0.46 |
Binding ≤ 1μM
|
GBRA3_BOVIN |
P10064
|
GABA Receptor Alpha-3 Subunit, Bovin |
120 |
0.46 |
Binding ≤ 1μM
|
GBRA4_BOVIN |
P20237
|
GABA Receptor Alpha-4 Subunit, Bovin |
120 |
0.46 |
Binding ≤ 1μM
|
GBRB1_BOVIN |
P08220
|
GABA Receptor Beta-1 Subunit, Bovin |
120 |
0.46 |
Binding ≤ 1μM
|
GBRB2_RAT |
P63138
|
GABA Receptor Beta-2 Subunit, Rat |
346 |
0.43 |
Binding ≤ 1μM
|
GBRG2_BOVIN |
P22300
|
GABA Receptor Gamma-2 Subunit, Bovin |
120 |
0.46 |
Binding ≤ 1μM
|
GBRG2_RAT |
P18508
|
GABA Receptor Gamma-2 Subunit, Rat |
346 |
0.43 |
Binding ≤ 1μM
|
GBRA1_RAT |
P62813
|
GABA Receptor Alpha-1 Subunit, Rat |
346 |
0.43 |
Binding ≤ 10μM
|
GBRA1_BOVIN |
P08219
|
GABA Receptor Alpha-1 Subunit, Bovin |
120 |
0.46 |
Binding ≤ 10μM
|
GBRA2_BOVIN |
P10063
|
GABA Receptor Alpha-2 Subunit, Bovin |
120 |
0.46 |
Binding ≤ 10μM
|
GBRA3_BOVIN |
P10064
|
GABA Receptor Alpha-3 Subunit, Bovin |
120 |
0.46 |
Binding ≤ 10μM
|
GBRA4_BOVIN |
P20237
|
GABA Receptor Alpha-4 Subunit, Bovin |
120 |
0.46 |
Binding ≤ 10μM
|
GBRB1_BOVIN |
P08220
|
GABA Receptor Beta-1 Subunit, Bovin |
120 |
0.46 |
Binding ≤ 10μM
|
GBRB2_RAT |
P63138
|
GABA Receptor Beta-2 Subunit, Rat |
346 |
0.43 |
Binding ≤ 10μM
|
GBRG2_BOVIN |
P22300
|
GABA Receptor Gamma-2 Subunit, Bovin |
120 |
0.46 |
Binding ≤ 10μM
|
GBRG2_RAT |
P18508
|
GABA Receptor Gamma-2 Subunit, Rat |
346 |
0.43 |
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.