| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2009 | 30 | Yes |
Popular Name: 4-[[(ethyl-methyl-amino)-dihydroxy-methyl-BLAHyl]amino]-4-oxo-butanoic 4-[[(ethyl-methyl-amino)-dihydro…
| 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) | 0.99 | 3.65 | -85.18 | 4 | 8 | 0 | 123 | 418.49 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.99 | 1.43 | -53.44 | 3 | 8 | -1 | 122 | 417.482 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.99 | 2.53 | -51.27 | 5 | 8 | 1 | 121 | 419.498 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 144 | 0.32 | Functional ≤ 10μM |
| OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 144 | 0.32 | Functional ≤ 10μM |
| OPRM-1-E | Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 144 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 144 | 0.32 | Functional ≤ 10μM |
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 144 | 0.32 | Functional ≤ 10μM |
| OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 144 | 0.32 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G-protein activation | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
