| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 23 | Yes |
Popular Name: N-[2-[5-methoxy-2-(pyrrolidin-1-ylmethyl)-1H-indol-3-yl]ethyl]acetamide N-[2-[5-methoxy-2-(pyrrolidin-1-…
| 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) | 1.89 | 6.65 | -50.19 | 3 | 5 | 1 | 59 | 316.425 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.89 | 4.16 | -12.53 | 2 | 5 | 0 | 57 | 315.417 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MTR1A-1-E | Melatonin Receptor 1A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 121 | 0.42 | Binding ≤ 10μM |
| MTR1B-1-E | Melatonin Receptor 1B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 25 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MTR1A_HUMAN | P48039 | Melatonin Receptor 1A, Human | 120.226443 | 0.42 | Binding ≤ 1μM |
| MTR1B_HUMAN | P49286 | Melatonin Receptor 1B, Human | 24.5470892 | 0.46 | Binding ≤ 1μM |
| MTR1A_HUMAN | P48039 | Melatonin Receptor 1A, Human | 120.226443 | 0.42 | Binding ≤ 10μM |
| MTR1B_HUMAN | P49286 | Melatonin Receptor 1B, Human | 24.5470892 | 0.46 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events |
