| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 14th, 2009 | 24 | Yes |
Popular Name: N-[[1-(5-methoxy-1-methyl-indol-3-yl)cyclopentyl]methyl]butanamide N-[[1-(5-methoxy-1-methyl-indol-…
| 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) | 4.18 | 9.28 | -13.92 | 1 | 4 | 0 | 43 | 328.456 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MTR1A-1-E | Melatonin Receptor 1A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 589 | 0.36 | Binding ≤ 10μM |
| MTR1B-1-E | Melatonin Receptor 1B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 85 | 0.41 | Binding ≤ 10μM |
| Z81346-1-O | Melanophores (Melanophore Cells) (cluster #1 Of 1), Other | Other | 1635 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MTR1A_HUMAN | P48039 | Melatonin Receptor 1A, Human | 589 | 0.36 | Binding ≤ 1μM |
| MTR1B_HUMAN | P49286 | Melatonin Receptor 1B, Human | 85.1 | 0.41 | Binding ≤ 1μM |
| MTR1A_HUMAN | P48039 | Melatonin Receptor 1A, Human | 589 | 0.36 | Binding ≤ 10μM |
| MTR1B_HUMAN | P49286 | Melatonin Receptor 1B, Human | 85.1 | 0.41 | Binding ≤ 10μM |
| Z81346 | Z81346 | Melanophores (Melanophore Cells) | 1635 | 0.34 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events |
