| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2007 | 18 | No |
Popular Name: 4-(2-hydroxy-3-tert-butylamino-propoxy)benzene-1,2-diol 4-(2-hydroxy-3-tert-butylamino-p…
| 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) | 1.35 | -5.65 | -44.67 | 5 | 5 | 1 | 87 | 256.322 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB1-2-E | Beta-1 Adrenergic Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 120 | 0.54 | Binding ≤ 10μM |
| ADRB1-1-E | Beta-1 Adrenergic Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.63 | Functional ≤ 10μM |
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 8 | 0.63 | Functional ≤ 10μM |
| ADRB3-1-E | Beta-3 Adrenergic Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.63 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB1_RAT | P18090 | Beta-1 Adrenergic Receptor, Rat | 120 | 0.54 | Binding ≤ 1μM |
| ADRB1_RAT | P18090 | Beta-1 Adrenergic Receptor, Rat | 120 | 0.54 | Binding ≤ 10μM |
| ADRB1_RAT | P18090 | Beta-1 Adrenergic Receptor, Rat | 8.2 | 0.63 | Functional ≤ 10μM |
| ADRB1_HUMAN | P08588 | Beta-1 Adrenergic Receptor, Human | 4.7 | 0.65 | Functional ≤ 10μM |
| ADRB2_CANFA | P54833 | Beta-2 Adrenergic Receptor, Canine | 8.2 | 0.63 | Functional ≤ 10μM |
| ADRB2_HUMAN | P07550 | Beta-2 Adrenergic Receptor, Human | 130 | 0.54 | Functional ≤ 10μM |
| ADRB3_RAT | P26255 | Beta-3 Adrenergic Receptor, Rat | 8.2 | 0.63 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adrenoceptors | |
| G alpha (s) signalling events |
