| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2005 | 18 | 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) | 1.36 | 2.58 | -12.18 | 2 | 3 | 0 | 58 | 246.306 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000053605A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTGR1-1-E | NADP-dependent Leukotriene B4 12-hydroxydehydrogenase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 55 | 0.56 | Functional ≤ 10μM |
| Z80156-2-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other | Other | 73 | 0.56 | Functional ≤ 10μM |
| Z80936-2-O | HEK293 (Embryonic Kidney Fibroblasts) (cluster #2 Of 4), Other | Other | 55 | 0.56 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80936 | Z80936 | HEK293 (Embryonic Kidney Fibroblasts) | 1200 | 0.46 | Functional ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 73 | 0.56 | Functional ≤ 10μM |
| PTGR1_RAT | P97584 | NADP-dependent Leukotriene B4 12-hydroxydehydrogenase, Rat | 55 | 0.56 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis of Leukotrienes (LT) and Eoxins (EX) | |
| Synthesis of Lipoxins (LX) | |
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
