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)
|
5.88 |
10.43 |
-62.83 |
2 |
4 |
1 |
47 |
466.388 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
5.88 |
8.12 |
-12.46 |
1 |
4 |
0 |
46 |
465.38 |
1 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
OPRD-1-E |
Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1 |
0.39 |
Binding ≤ 10μM
|
OPRK-1-E |
Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic |
Eukaryotes |
403 |
0.28 |
Binding ≤ 10μM
|
OPRM-1-E |
Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
225 |
0.29 |
Binding ≤ 10μM
|
OPRM-1-E |
Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
724 |
0.27 |
Functional ≤ 10μM
|
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
OPRD_HUMAN |
P41143
|
Delta Opioid Receptor, Human |
1.1 |
0.39 |
Binding ≤ 1μM
|
OPRD_RAT |
P33533
|
Delta Opioid Receptor, Rat |
1.1 |
0.39 |
Binding ≤ 1μM
|
OPRK_HUMAN |
P41145
|
Kappa Opioid Receptor, Human |
308 |
0.28 |
Binding ≤ 1μM
|
OPRM_HUMAN |
P35372
|
Mu Opioid Receptor, Human |
225 |
0.29 |
Binding ≤ 1μM
|
OPRM_RAT |
P33535
|
Mu Opioid Receptor, Rat |
97 |
0.31 |
Binding ≤ 1μM
|
OPRD_HUMAN |
P41143
|
Delta Opioid Receptor, Human |
1.1 |
0.39 |
Binding ≤ 10μM
|
OPRD_RAT |
P33533
|
Delta Opioid Receptor, Rat |
1.1 |
0.39 |
Binding ≤ 10μM
|
OPRK_HUMAN |
P41145
|
Kappa Opioid Receptor, Human |
308 |
0.28 |
Binding ≤ 10μM
|
OPRM_HUMAN |
P35372
|
Mu Opioid Receptor, Human |
225 |
0.29 |
Binding ≤ 10μM
|
OPRM_RAT |
P33535
|
Mu Opioid Receptor, Rat |
97 |
0.31 |
Binding ≤ 10μM
|
OPRM_CAVPO |
P97266
|
Mu Opioid Receptor, Guinea Pig |
724 |
0.27 |
Functional ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
G alpha (i) signalling events |
|
G-protein activation |
|
Opioid Signalling |
|
Peptide ligand-binding receptors |
|
No pre-computed analogs available. Try a structural similarity search.