| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2006 | 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) | 3.71 | -1.49 | -49.44 | 3 | 5 | 1 | 63 | 412.55 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0031234A1; EP0146297A1; EP0147085A2; EP0149544A2; EP0170090A1; EP0207773A2; EP0243797A2; EP0245952A2; EP0250137A2; EP0250137B1; EP0250796A2; EP0258963A2; EP0305929A2; EP0305929B1; EP0308206A2; EP0308206B1; EP0310251A2; EP0310251B1; EP0314690B1; EP031855 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2 | 0.41 | Binding ≤ 10μM |
| OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 3 | 0.40 | Binding ≤ 10μM |
| OPRM-4-E | Mu-type Opioid Receptor (cluster #4 Of 4), Eukaryotic | Eukaryotes | 2 | 0.41 | Binding ≤ 10μM |
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 1 | 0.42 | Binding ≤ 10μM |
| OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Functional ≤ 10μM |
| OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Functional ≤ 10μM |
| OPRM-1-E | Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 0 | 0.00 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 0.27 | 0.45 | Binding ≤ 1μM |
| OPRD_MOUSE | P32300 | Delta Opioid Receptor, Mouse | 2.9 | 0.40 | Binding ≤ 1μM |
| OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 1.3 | 0.41 | Binding ≤ 1μM |
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 0.5 | 0.43 | Binding ≤ 1μM |
| OPRK_RAT | P34975 | Kappa Opioid Receptor, Rat | 0.18 | 0.45 | Binding ≤ 1μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 0.14 | 0.46 | Binding ≤ 1μM |
| OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 0.48 | 0.43 | Binding ≤ 1μM |
| SGMR1_RAT | Q9R0C9 | Sigma Opioid Receptor, Rat | 0.35 | 0.44 | Binding ≤ 1μM |
| OPRD_MOUSE | P32300 | Delta Opioid Receptor, Mouse | 2.9 | 0.40 | Binding ≤ 10μM |
| OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 1.3 | 0.41 | Binding ≤ 10μM |
| OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 0.27 | 0.45 | Binding ≤ 10μM |
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 0.5 | 0.43 | Binding ≤ 10μM |
| OPRK_RAT | P34975 | Kappa Opioid Receptor, Rat | 0.18 | 0.45 | Binding ≤ 10μM |
| OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 0.48 | 0.43 | Binding ≤ 10μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 0.14 | 0.46 | Binding ≤ 10μM |
| SGMR1_RAT | Q9R0C9 | Sigma Opioid Receptor, Rat | 0.35 | 0.44 | Binding ≤ 10μM |
| OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 0.3 | 0.44 | Functional ≤ 10μM |
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 0.3 | 0.44 | Functional ≤ 10μM |
| OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 0.3 | 0.44 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G-protein activation | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
