| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 21 | Yes |
Popular Name: N-[(3S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl]butanamide N-[(3S)-6-methoxy-2,3,4,9-tetrah…
| 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) | 3.38 | 6.15 | -11.17 | 2 | 4 | 0 | 54 | 286.375 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MTR1A-1-E | Melatonin Receptor 1A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 560 | 0.42 | Binding ≤ 10μM |
| MTR1B-1-E | Melatonin Receptor 1B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 560 | 0.42 | Binding ≤ 10μM |
| MTR1C-1-E | Melatonin Receptor 1C (cluster #1 Of 1), Eukaryotic | Eukaryotes | 560 | 0.42 | Binding ≤ 10μM |
| Z50573-1-O | Xenopus Laevis (cluster #1 Of 2), Other | Other | 10000 | 0.33 | Functional ≤ 10μM |
| Z81346-1-O | Melanophores (Melanophore Cells) (cluster #1 Of 1), Other | Other | 25 | 0.51 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MTR1A_CHICK | P49285 | Melatonin Receptor 1A, Chick | 560 | 0.42 | Binding ≤ 1μM |
| MTR1B_CHICK | P51050 | Melatonin Receptor 1B, Chick | 560 | 0.42 | Binding ≤ 1μM |
| MTR1C_CHICK | P49288 | Melatonin Receptor 1C, Chick | 560 | 0.42 | Binding ≤ 1μM |
| MTR1A_CHICK | P49285 | Melatonin Receptor 1A, Chick | 560 | 0.42 | Binding ≤ 10μM |
| MTR1B_CHICK | P51050 | Melatonin Receptor 1B, Chick | 560 | 0.42 | Binding ≤ 10μM |
| MTR1C_CHICK | P49288 | Melatonin Receptor 1C, Chick | 560 | 0.42 | Binding ≤ 10μM |
| Z81346 | Z81346 | Melanophores (Melanophore Cells) | 25 | 0.51 | Functional ≤ 10μM |
| Z50573 | Z50573 | Xenopus Laevis | 10000 | 0.33 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events |
