| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 20 | Yes |
Popular Name: but-3-enyl-dimethyl-BLAHol but-3-enyl-dimethyl-BLAHol
None
| 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) | 3.83 | 7.61 | -39.35 | 2 | 2 | 1 | 25 | 272.412 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 21 | 0.54 | Binding ≤ 10μM |
| OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 1 | 0.63 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 2 | 0.61 | Binding ≤ 10μM |
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 1600 | 0.41 | Binding ≤ 10μM |
| Z100491-1-O | Sigma 2 Receptor (cluster #1 Of 2), Other | Other | 620 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD_MOUSE | P32300 | Delta Opioid Receptor, Mouse | 21 | 0.54 | Binding ≤ 1μM |
| OPRK_MOUSE | P33534 | Kappa Opioid Receptor, Mouse | 1.3 | 0.62 | Binding ≤ 1μM |
| OPRM_MOUSE | P42866 | Mu Opioid Receptor, Mouse | 2.1 | 0.61 | Binding ≤ 1μM |
| Z100491 | Z100491 | Sigma 2 Receptor | 620 | 0.43 | Binding ≤ 1μM |
| OPRD_MOUSE | P32300 | Delta Opioid Receptor, Mouse | 21 | 0.54 | Binding ≤ 10μM |
| OPRK_MOUSE | P33534 | Kappa Opioid Receptor, Mouse | 1.3 | 0.62 | Binding ≤ 10μM |
| OPRM_MOUSE | P42866 | Mu Opioid Receptor, Mouse | 2.1 | 0.61 | Binding ≤ 10μM |
| Z100491 | Z100491 | Sigma 2 Receptor | 620 | 0.43 | Binding ≤ 10μM |
| SGMR1_MOUSE | O55242 | Sigma Opioid Receptor, Mouse | 1600 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G-protein activation | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
