| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 20 | No |
| 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) | 3.12 | -2.35 | -8.74 | 2 | 4 | 0 | 58 | 272.3 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX12-2-E | Arachidonate 12-lipoxygenase (cluster #2 Of 4), Eukaryotic | Eukaryotes | 7600 | 0.36 | Binding ≤ 10μM |
| LOX15-1-E | Arachidonate 15-lipoxygenase (cluster #1 Of 5), Eukaryotic | Eukaryotes | 150 | 0.48 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX15_HUMAN | P16050 | Arachidonate 15-lipoxygenase, Human | 150 | 0.48 | Binding ≤ 1μM |
| LOX12_HUMAN | P18054 | Arachidonate 12-lipoxygenase, Human | 7600 | 0.36 | Binding ≤ 10μM |
| LOX15_HUMAN | P16050 | Arachidonate 15-lipoxygenase, Human | 150 | 0.48 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis of 12-eicosatetraenoic acid derivatives | |
| Synthesis of 15-eicosatetraenoic acid derivatives | |
| Synthesis of Hepoxilins (HX) and Trioxilins (TrX) | |
| Synthesis of Leukotrienes (LT) and Eoxins (EX) | |
| Synthesis of Lipoxins (LX) |
