| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 16th, 2009 | 15 | No |
Popular Name: Bicyclo[4.2.0]octa-1,3,5-triene-2,3-diol, 7-(4,5-dihydro-1H-imidazol-2-yl)- (9CI) Bicyclo[4.2.0]octa-1,3,5-triene-…
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CAS Number: 100449-01-2
| 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) | 0.71 | 0.09 | -38.97 | 4 | 4 | 1 | 66 | 205.237 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA2A-1-E | Alpha-2a Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 49 | 0.68 | Binding ≤ 10μM |
| ADA2B-3-E | Alpha-2b Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 49 | 0.68 | Binding ≤ 10μM |
| ADA2C-1-E | Alpha-2c Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 49 | 0.68 | Binding ≤ 10μM |
| Z104304-1-O | Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other | Other | 4400 | 0.50 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 46 | 0.68 | Binding ≤ 1μM |
| ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 46 | 0.68 | Binding ≤ 1μM |
| ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 46 | 0.68 | Binding ≤ 1μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 1100 | 0.56 | Binding ≤ 10μM |
| ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 46 | 0.68 | Binding ≤ 10μM |
| ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 46 | 0.68 | Binding ≤ 10μM |
| ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 46 | 0.68 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adrenaline signalling through Alpha-2 adrenergic receptor | |
| Adrenaline,noradrenaline inhibits insulin secretion | |
| Adrenoceptors | |
| G alpha (i) signalling events | |
| G alpha (z) signalling events |
No pre-computed analogs available. Try a structural similarity search.