| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 17 | Yes |
Popular Name: DNC012294 DNC012294
| 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) | 1.95 | 5.28 | -10.23 | 2 | 3 | 0 | 45 | 228.295 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0731092B1; US3959309; US4062864; US4172834; US4257952; US5648500 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MTR1A-1-E | Melatonin Receptor 1A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5350 | 0.43 | Binding ≤ 10μM |
| MTR1B-1-E | Melatonin Receptor 1B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5350 | 0.43 | Binding ≤ 10μM |
| MTR1C-1-E | Melatonin Receptor 1C (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5350 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MTR1A_CHICK | P49285 | Melatonin Receptor 1A, Chick | 5350 | 0.43 | Binding ≤ 10μM |
| MTR1B_CHICK | P51050 | Melatonin Receptor 1B, Chick | 5350 | 0.43 | Binding ≤ 10μM |
| MTR1C_CHICK | P49288 | Melatonin Receptor 1C, Chick | 5350 | 0.43 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events |
