| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 16 | 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) | 3.18 | 2.12 | -36.57 | 1 | 2 | 1 | 13 | 216.304 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A-3-E | Serotonin 1a (5-HT1a) Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 80 | 0.62 | Binding ≤ 10μM |
| 5HT1B-1-E | Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1500 | 0.51 | Binding ≤ 10μM |
| ADRB1-2-E | Beta-1 Adrenergic Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 4500 | 0.47 | Binding ≤ 10μM |
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4500 | 0.47 | Binding ≤ 10μM |
| ADRB3-2-E | Beta-3 Adrenergic Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 4500 | 0.47 | Binding ≤ 10μM |
| 5HT1B-2-E | Serotonin 1b (5-HT1b) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 94 | 0.61 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 80 | 0.62 | Binding ≤ 1μM |
| ADRB1_RAT | P18090 | Beta-1 Adrenergic Receptor, Rat | 4500 | 0.47 | Binding ≤ 10μM |
| ADRB2_CANFA | P54833 | Beta-2 Adrenergic Receptor, Canine | 4500 | 0.47 | Binding ≤ 10μM |
| ADRB3_RAT | P26255 | Beta-3 Adrenergic Receptor, Rat | 4500 | 0.47 | Binding ≤ 10μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 80 | 0.62 | Binding ≤ 10μM |
| 5HT1B_RAT | P28564 | Serotonin 1b (5-HT1b) Receptor, Rat | 1500 | 0.51 | Binding ≤ 10μM |
| 5HT1B_HUMAN | P28222 | Serotonin 1b (5-HT1b) Receptor, Human | 94 | 0.61 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adrenoceptors | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events | |
| Serotonin receptors |
