| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 8th, 2011 | 30 | Yes |
Popular Name: methyl(phenyl)BLAHol methyl(phenyl)BLAHol
| 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) | 4.59 | 9.41 | -61.56 | 2 | 4 | 1 | 47 | 397.498 | 1 | ↓ |
| Hi High (pH 8-9.5) | 4.59 | 7.1 | -12.39 | 1 | 4 | 0 | 46 | 396.49 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 4.59 | 9.85 | -99.99 | 3 | 4 | 2 | 48 | 398.506 | 1 | ↓ |
| 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 | 81 | 0.33 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 24 | 0.36 | Binding ≤ 10μM |
| OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 48 | 0.34 | Functional ≤ 10μM |
| OPRM-1-E | Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 99 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 1.9 | 0.41 | Binding ≤ 1μM |
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 81 | 0.33 | Binding ≤ 1μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 24 | 0.36 | Binding ≤ 1μM |
| OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 1.9 | 0.41 | Binding ≤ 10μM |
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 81 | 0.33 | Binding ≤ 10μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 24 | 0.36 | Binding ≤ 10μM |
| OPRD_MOUSE | P32300 | Delta Opioid Receptor, Mouse | 48.4 | 0.34 | Functional ≤ 10μM |
| OPRM_CAVPO | P97266 | Mu Opioid Receptor, Guinea Pig | 98.7 | 0.33 | Functional ≤ 10μM |
| OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 1030 | 0.28 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G-protein activation | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
No pre-computed analogs available. Try a structural similarity search.
