| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 12th, 2009 | 30 | Yes |
Popular Name: ethylamino(methyl)BLAHol ethylamino(methyl)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) | 3.72 | 7.73 | -42.23 | 4 | 5 | 1 | 62 | 402.518 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.72 | 8.1 | -122.11 | 5 | 5 | 2 | 66 | 403.526 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.72 | 6.71 | -35.28 | 4 | 5 | 1 | 65 | 402.518 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1 | 0.42 | Binding ≤ 10μM |
| OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 64 | 0.34 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 76 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 0.33 | 0.44 | Binding ≤ 1μM |
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 63.8 | 0.34 | Binding ≤ 1μM |
| OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 184 | 0.31 | Binding ≤ 1μM |
| OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 0.33 | 0.44 | Binding ≤ 10μM |
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 63.8 | 0.34 | Binding ≤ 10μM |
| OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 184 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G-protein activation | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
