| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 21 | Yes |
Popular Name: N-[(2R)-4-methoxy-2,3-dihydro-1H-phenalen-2-yl]butanamide N-[(2R)-4-methoxy-2,3-dihydro-1H…
| 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) | 3.81 | 7.75 | -11 | 1 | 3 | 0 | 38 | 283.371 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MTR1A-1-E | Melatonin Receptor 1A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2 | 0.58 | Binding ≤ 10μM |
| MTR1A-1-E | Melatonin Receptor 1A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10 | 0.53 | Binding ≤ 10μM |
| MTR1B-1-E | Melatonin Receptor 1B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2 | 0.58 | Binding ≤ 10μM |
| MTR1B-1-E | Melatonin Receptor 1B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10 | 0.53 | Binding ≤ 10μM |
| MTR1C-1-E | Melatonin Receptor 1C (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.58 | Binding ≤ 10μM |
| MTR1C-1-E | Melatonin Receptor 1C (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10 | 0.53 | Binding ≤ 10μM |
| MTR1A-1-E | Melatonin Receptor 1A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Functional ≤ 10μM |
| MTR1B-1-E | Melatonin Receptor 1B (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Functional ≤ 10μM |
| MTR1C-1-E | Melatonin Receptor 1C (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MTR1A_CHICK | P49285 | Melatonin Receptor 1A, Chick | 10 | 0.53 | Binding ≤ 1μM |
| MTR1B_CHICK | P51050 | Melatonin Receptor 1B, Chick | 10 | 0.53 | Binding ≤ 1μM |
| MTR1C_CHICK | P49288 | Melatonin Receptor 1C, Chick | 10 | 0.53 | Binding ≤ 1μM |
| MTR1A_CHICK | P49285 | Melatonin Receptor 1A, Chick | 10 | 0.53 | Binding ≤ 10μM |
| MTR1B_CHICK | P51050 | Melatonin Receptor 1B, Chick | 10 | 0.53 | Binding ≤ 10μM |
| MTR1C_CHICK | P49288 | Melatonin Receptor 1C, Chick | 10 | 0.53 | Binding ≤ 10μM |
| MTR1A_CHICK | P49285 | Melatonin Receptor 1A, Chick | 0.1 | 0.67 | Functional ≤ 10μM |
| MTR1B_CHICK | P51050 | Melatonin Receptor 1B, Chick | 0.1 | 0.67 | Functional ≤ 10μM |
| MTR1C_CHICK | P49288 | Melatonin Receptor 1C, Chick | 0.1 | 0.67 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events |
No pre-computed analogs available. Try a structural similarity search.
