| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 19th, 2009 | 19 | No |
Popular Name: 4-[(1S)-2-[[(1S)-5-amino-1-methyl-pentyl]amino]-1-hydroxy-ethyl]benzene-1,2-diol 4-[(1S)-2-[[(1S)-5-amino-1-methy…
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| 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) | 0.12 | -1.75 | -110.01 | 8 | 5 | 2 | 105 | 270.373 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB1-1-E | Beta-1 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| ADRB3-1-E | Beta-3 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB1_MOUSE | P34971 | Beta-1 Adrenergic Receptor, Mouse | 0.1 | 0.74 | Binding ≤ 1μM |
| ADRB2_MOUSE | P18762 | Beta-2 Adrenergic Receptor, Mouse | 0.1 | 0.74 | Binding ≤ 1μM |
| ADRB3_MOUSE | P25962 | Beta-3 Adrenergic Receptor, Mouse | 0.1 | 0.74 | Binding ≤ 1μM |
| ADRB1_MOUSE | P34971 | Beta-1 Adrenergic Receptor, Mouse | 0.1 | 0.74 | Binding ≤ 10μM |
| ADRB2_MOUSE | P18762 | Beta-2 Adrenergic Receptor, Mouse | 0.1 | 0.74 | Binding ≤ 10μM |
| ADRB3_MOUSE | P25962 | Beta-3 Adrenergic Receptor, Mouse | 0.1 | 0.74 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adrenoceptors | |
| G alpha (s) signalling events |
