| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 25 | Yes |
| 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) | 3.00 | 8.67 | -77.63 | 3 | 5 | 0 | 86 | 363.841 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB1-2-E | Beta-1 Adrenergic Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3300 | 0.31 | Binding ≤ 10μM |
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1300 | 0.33 | Binding ≤ 10μM |
| ADRB3-1-E | Beta-3 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 960 | 0.34 | Binding ≤ 10μM |
| ADA1A-1-E | Alpha-1a Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5600 | 0.29 | Functional ≤ 10μM |
| ADA1B-1-E | Alpha-1b Adrenergic Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5600 | 0.29 | Functional ≤ 10μM |
| ADA1D-1-E | Alpha-1d Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 5600 | 0.29 | Functional ≤ 10μM |
| ADRB1-1-E | Beta-1 Adrenergic Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 190 | 0.38 | Functional ≤ 10μM |
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9 | 0.45 | Functional ≤ 10μM |
| ADRB3-1-E | Beta-3 Adrenergic Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.45 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB2_HUMAN | P07550 | Beta-2 Adrenergic Receptor, Human | 630 | 0.35 | Binding ≤ 1μM |
| ADRB3_HUMAN | P13945 | Beta-3 Adrenergic Receptor, Human | 660 | 0.35 | Binding ≤ 1μM |
| ADRB1_RAT | P18090 | Beta-1 Adrenergic Receptor, Rat | 3300 | 0.31 | Binding ≤ 10μM |
| ADRB1_HUMAN | P08588 | Beta-1 Adrenergic Receptor, Human | 1130 | 0.33 | Binding ≤ 10μM |
| ADRB2_HUMAN | P07550 | Beta-2 Adrenergic Receptor, Human | 2850 | 0.31 | Binding ≤ 10μM |
| ADRB2_CANFA | P54833 | Beta-2 Adrenergic Receptor, Canine | 1300 | 0.33 | Binding ≤ 10μM |
| ADRB3_HUMAN | P13945 | Beta-3 Adrenergic Receptor, Human | 660 | 0.35 | Binding ≤ 10μM |
| ADA1A_HUMAN | P35348 | Alpha-1a Adrenergic Receptor, Human | 5600 | 0.29 | Functional ≤ 10μM |
| ADA1B_HUMAN | P35368 | Alpha-1b Adrenergic Receptor, Human | 5600 | 0.29 | Functional ≤ 10μM |
| ADA1D_HUMAN | P25100 | Alpha-1d Adrenergic Receptor, Human | 5600 | 0.29 | Functional ≤ 10μM |
| ADRB1_RAT | P18090 | Beta-1 Adrenergic Receptor, Rat | 190 | 0.38 | Functional ≤ 10μM |
| ADRB1_HUMAN | P08588 | Beta-1 Adrenergic Receptor, Human | 1700 | 0.32 | Functional ≤ 10μM |
| ADRB2_RAT | P10608 | Beta-2 Adrenergic Receptor, Rat | 9.1 | 0.45 | Functional ≤ 10μM |
| ADRB2_HUMAN | P07550 | Beta-2 Adrenergic Receptor, Human | 290 | 0.37 | Functional ≤ 10μM |
| ADRB3_HUMAN | P13945 | Beta-3 Adrenergic Receptor, Human | 0.1 | 0.56 | Functional ≤ 10μM |
| ADRB3_RAT | P26255 | Beta-3 Adrenergic Receptor, Rat | 8.4 | 0.45 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adrenoceptors | |
| G alpha (12/13) signalling events | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events |
