| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 26 | Yes |
Popular Name: 1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-ol 1-[2-[4-(1,3-benzothiazol-2-ylox…
| 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) | 3.36 | 6.02 | -48.64 | 2 | 5 | 1 | 56 | 371.482 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.36 | 3.81 | -12.07 | 1 | 5 | 0 | 55 | 370.474 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LKHA4-2-E | Leukotriene A4 Hydrolase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 180 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LKHA4_MOUSE | P24527 | Leukotriene A4 Hydrolase, Mouse | 180 | 0.36 | Binding ≤ 1μM |
| LKHA4_HUMAN | P09960 | Leukotriene A4 Hydrolase, Human | 31 | 0.40 | Binding ≤ 1μM |
| LKHA4_MOUSE | P24527 | Leukotriene A4 Hydrolase, Mouse | 180 | 0.36 | Binding ≤ 10μM |
| LKHA4_HUMAN | P09960 | Leukotriene A4 Hydrolase, Human | 31 | 0.40 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis of Leukotrienes (LT) and Eoxins (EX) |
