| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2004 | 28 | Yes |
Popular Name: 4-{[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butynyl 2-thiophenecarboxylate 4-{[5-(1-naphthyl)-1,3,4-oxadiaz…
| 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) | 5.64 | 9.64 | -12.49 | 0 | 5 | 0 | 65 | 406.488 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX15-1-E | Arachidonate 15-lipoxygenase (cluster #1 Of 5), Eukaryotic | Eukaryotes | 19 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX15_HUMAN | P16050 | Arachidonate 15-lipoxygenase, Human | 19 | 0.39 | Binding ≤ 1μM |
| LOX15_HUMAN | P16050 | Arachidonate 15-lipoxygenase, Human | 19 | 0.39 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis of 12-eicosatetraenoic acid derivatives | |
| Synthesis of 15-eicosatetraenoic acid derivatives | |
| Synthesis of Leukotrienes (LT) and Eoxins (EX) |
