| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2009 | 30 | Yes |
| 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) | 2.08 | 5.82 | -69.44 | 3 | 5 | 1 | 71 | 404.486 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.08 | 4.08 | -16.88 | 2 | 5 | 0 | 70 | 403.478 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3 | 0.40 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 14 | 0.37 | Binding ≤ 10μM |
| Z50594-1-O | Mus Musculus (cluster #1 Of 9), Other | Other | 22 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD_MOUSE | P32300 | Delta Opioid Receptor, Mouse | 2.8 | 0.40 | Binding ≤ 1μM |
| OPRM_MOUSE | P42866 | Mu Opioid Receptor, Mouse | 14 | 0.37 | Binding ≤ 1μM |
| OPRD_MOUSE | P32300 | Delta Opioid Receptor, Mouse | 2.8 | 0.40 | Binding ≤ 10μM |
| OPRM_MOUSE | P42866 | Mu Opioid Receptor, Mouse | 14 | 0.37 | Binding ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 22 | 0.36 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G-protein activation | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
