| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2008 | 36 | No |
Popular Name: 2-[(S)-[5-dodecoxy-6-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-2-pyridyl]methylsulfinyl]benzoic 2-[(S)-[5-dodecoxy-6-[(E)-3-hydr…
| 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) | 6.46 | 13.85 | -122.22 | 0 | 7 | -2 | 119 | 513.656 | 18 | ↓ |
| Lo Low (pH 4.5-6) | 6.46 | 14.05 | -84.44 | 1 | 7 | -1 | 121 | 514.664 | 18 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LT4R1-1-E | Leukotriene B4 Receptor 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 478 | 0.25 | Binding ≤ 10μM |
| Z80566-1-O | U-937 (Histiocytic Lymphoma Cells) (cluster #1 Of 2), Other | Other | 1500 | 0.23 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LT4R1_HUMAN | Q15722 | Leukotriene B4 Receptor 1, Human | 478 | 0.25 | Binding ≤ 1μM |
| LT4R1_HUMAN | Q15722 | Leukotriene B4 Receptor 1, Human | 478 | 0.25 | Binding ≤ 10μM |
| Z80566 | Z80566 | U-937 (Histiocytic Lymphoma Cells) | 1500 | 0.23 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Leukotriene receptors |
