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)
|
3.61 |
7.37 |
-37 |
2 |
3 |
1 |
38 |
297.403 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
3.61 |
6.91 |
-8.85 |
1 |
3 |
0 |
36 |
296.395 |
2 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
DRD1-1-E |
Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
9600 |
0.33 |
Binding ≤ 10μM
|
DRD3-1-E |
Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
9600 |
0.33 |
Binding ≤ 10μM
|
DRD4-1-E |
Dopamine D4 Receptor (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
9600 |
0.33 |
Binding ≤ 10μM
|
DRD5-1-E |
Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
9600 |
0.33 |
Binding ≤ 10μM
|
DRD2-17-E |
Dopamine D2 Receptor (cluster #17 Of 24), Eukaryotic |
Eukaryotes |
9600 |
0.33 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
DRD1_BOVIN |
Q95136
|
Dopamine D1 Receptor, Bovin |
500 |
0.42 |
Binding ≤ 1μM
|
DRD2_BOVIN |
P20288
|
Dopamine D2 Receptor, Bovin |
500 |
0.42 |
Binding ≤ 1μM
|
DRD3_HUMAN |
P35462
|
Dopamine D3 Receptor, Human |
500 |
0.42 |
Binding ≤ 1μM
|
DRD4_HUMAN |
P21917
|
Dopamine D4 Receptor, Human |
500 |
0.42 |
Binding ≤ 1μM
|
DRD5_HUMAN |
P21918
|
Dopamine D5 Receptor, Human |
500 |
0.42 |
Binding ≤ 1μM
|
DRD1_BOVIN |
Q95136
|
Dopamine D1 Receptor, Bovin |
500 |
0.42 |
Binding ≤ 10μM
|
DRD2_BOVIN |
P20288
|
Dopamine D2 Receptor, Bovin |
500 |
0.42 |
Binding ≤ 10μM
|
DRD3_HUMAN |
P35462
|
Dopamine D3 Receptor, Human |
500 |
0.42 |
Binding ≤ 10μM
|
DRD4_HUMAN |
P21917
|
Dopamine D4 Receptor, Human |
500 |
0.42 |
Binding ≤ 10μM
|
DRD5_HUMAN |
P21918
|
Dopamine D5 Receptor, Human |
500 |
0.42 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Dopamine receptors |
|
G alpha (i) signalling events |
|
G alpha (s) signalling events |
|
No pre-computed analogs available. Try a structural similarity search.