| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2009 | 22 | 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) | 3.63 | 7.94 | -39.82 | 2 | 3 | 1 | 42 | 300.422 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.63 | 6.12 | -11.6 | 1 | 3 | 0 | 41 | 299.414 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4160 | 0.34 | Binding ≤ 10μM |
| OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 4160 | 0.34 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 7 | 0.52 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 1.7 | 0.56 | Binding ≤ 1μM |
| OPRK_RAT | P34975 | Kappa Opioid Receptor, Rat | 0.3 | 0.61 | Binding ≤ 1μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 0.5 | 0.59 | Binding ≤ 1μM |
| OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 1.7 | 0.56 | Binding ≤ 10μM |
| OPRK_RAT | P34975 | Kappa Opioid Receptor, Rat | 0.3 | 0.61 | Binding ≤ 10μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 0.5 | 0.59 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G-protein activation | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
