| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 3rd, 2009 | 23 | Yes |
Popular Name: N-[4-(2,3-dihydro-1,4-benzodioxin-5-yloxy)phenyl]butanamide N-[4-(2,3-dihydro-1,4-benzodioxi…
| 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) | 3.99 | 7.47 | -15.79 | 1 | 5 | 0 | 57 | 313.353 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MTR1A-1-E | Melatonin Receptor 1A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 92 | 0.43 | Binding ≤ 10μM |
| MTR1B-2-E | Melatonin Receptor 1B (cluster #2 Of 2), Eukaryotic | Eukaryotes | 5 | 0.51 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MTR1A_HUMAN | P48039 | Melatonin Receptor 1A, Human | 92 | 0.43 | Binding ≤ 1μM |
| MTR1B_HUMAN | P49286 | Melatonin Receptor 1B, Human | 4.7 | 0.51 | Binding ≤ 1μM |
| MTR1A_HUMAN | P48039 | Melatonin Receptor 1A, Human | 92 | 0.43 | Binding ≤ 10μM |
| MTR1B_HUMAN | P49286 | Melatonin Receptor 1B, Human | 4.7 | 0.51 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events |
