| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2009 | 25 | Yes |
Popular Name: 2-[(1S,3R)-1-hydroxy-3-[(3S)-3-hydroxy-7-phenyl-heptyl]cyclohexyl]acetic 2-[(1S,3R)-1-hydroxy-3-[(3S)-3-h…
| 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) | 3.98 | 8.63 | -45.5 | 2 | 4 | -1 | 81 | 347.475 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 3.98 | 7.51 | -9.77 | 3 | 4 | 0 | 78 | 348.483 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LT4R1-2-E | Leukotriene B4 Receptor 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 5300 | 0.30 | Binding ≤ 10μM |
| LT4R2-2-E | Leukotriene B4 Receptor 2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 5300 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LT4R1_HUMAN | Q15722 | Leukotriene B4 Receptor 1, Human | 5300 | 0.30 | Binding ≤ 10μM |
| LT4R2_HUMAN | Q9NPC1 | Leukotriene B4 Receptor 2, Human | 5300 | 0.30 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Leukotriene receptors |
