| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2009 | 36 | Yes |
Popular Name: 2-[3-[3-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)propoxy]-2-propyl-phenoxy]benzoic 2-[3-[3-(4-acetyl-2-ethyl-5-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) | 7.51 | 14.23 | -67.66 | 1 | 7 | -1 | 105 | 491.56 | 13 | ↓ |
| Mid Mid (pH 6-8) | 7.51 | 15.07 | -117.48 | 0 | 7 | -2 | 108 | 490.552 | 13 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LT4R1-1-E | Leukotriene B4 Receptor 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 39 | 0.29 | Binding ≤ 10μM |
| LT4R2-1-E | Leukotriene B4 Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 39 | 0.29 | Binding ≤ 10μM |
| Z50587-4-O | Homo Sapiens (cluster #4 Of 9), Other | Other | 790 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LT4R1_HUMAN | Q15722 | Leukotriene B4 Receptor 1, Human | 24 | 0.30 | Binding ≤ 1μM |
| LT4R2_HUMAN | Q9NPC1 | Leukotriene B4 Receptor 2, Human | 24 | 0.30 | Binding ≤ 1μM |
| LT4R1_HUMAN | Q15722 | Leukotriene B4 Receptor 1, Human | 24 | 0.30 | Binding ≤ 10μM |
| LT4R2_HUMAN | Q9NPC1 | Leukotriene B4 Receptor 2, Human | 24 | 0.30 | Binding ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 790 | 0.24 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Leukotriene receptors |
