| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 13 | Yes |
Popular Name: 1'-Methyl-1',2',3',4',5',6'-hexahydro-[2,4']bipyridinyl 1'-Methyl-1',2',3',4',5',6'-hexa…
| 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) | 1.17 | 6.32 | -37.74 | 1 | 2 | 1 | 17 | 177.271 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.17 | 6.57 | -85.23 | 2 | 2 | 2 | 19 | 178.279 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA1A-2-E | Alpha-1a Adrenergic Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 2500 | 0.60 | Binding ≤ 10μM |
| ADA2A-3-E | Alpha-2a Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 420 | 0.69 | Binding ≤ 10μM |
| ADA2B-2-E | Alpha-2b Adrenergic Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 420 | 0.69 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA2A_BOVIN | Q28838 | Alpha-2a Adrenergic Receptor, Bovin | 420 | 0.69 | Binding ≤ 1μM |
| ADA2B_BOVIN | O77700 | Alpha-2b Adrenergic Receptor, Bovin | 420 | 0.69 | Binding ≤ 1μM |
| ADA1A_BOVIN | P18130 | Alpha-1a Adrenergic Receptor, Bovin | 2500 | 0.60 | Binding ≤ 10μM |
| ADA2A_BOVIN | Q28838 | Alpha-2a Adrenergic Receptor, Bovin | 420 | 0.69 | Binding ≤ 10μM |
| ADA2B_BOVIN | O77700 | Alpha-2b Adrenergic Receptor, Bovin | 420 | 0.69 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adrenaline signalling through Alpha-2 adrenergic receptor | |
| Adrenoceptors | |
| G alpha (i) signalling events | |
| G alpha (z) signalling events |
