In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2009 | 25 | Yes |
Popular Name: 4-[(E)-2-(2-benzyloxyphenyl)vinyl]-2,6-dimethyl-phenol 4-[(E)-2-(2-benzyloxyphenyl)viny…
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) | 6.45 | 11.49 | -9.41 | 1 | 2 | 0 | 29 | 330.427 | 5 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
LOX5-4-E | Arachidonate 5-lipoxygenase (cluster #4 Of 6), Eukaryotic | Eukaryotes | 1000 | 0.34 | Binding ≤ 10μM |
PGH1-2-E | Cyclooxygenase-1 (cluster #2 Of 6), Eukaryotic | Eukaryotes | 1000 | 0.34 | Binding ≤ 10μM |
PGH2-1-E | Cyclooxygenase-2 (cluster #1 Of 8), Eukaryotic | Eukaryotes | 1000 | 0.34 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
LOX5_HUMAN | P09917 | Arachidonate 5-lipoxygenase, Human | 1000 | 0.34 | Binding ≤ 1μM |
PGH1_HUMAN | P23219 | Cyclooxygenase-1, Human | 1000 | 0.34 | Binding ≤ 1μM |
PGH2_HUMAN | P35354 | Cyclooxygenase-2, Human | 1000 | 0.34 | Binding ≤ 1μM |
LOX5_HUMAN | P09917 | Arachidonate 5-lipoxygenase, Human | 1000 | 0.34 | Binding ≤ 10μM |
PGH1_HUMAN | P23219 | Cyclooxygenase-1, Human | 1000 | 0.34 | Binding ≤ 10μM |
PGH2_HUMAN | P35354 | Cyclooxygenase-2, Human | 1000 | 0.34 | Binding ≤ 10μM |
Description | Species |
---|---|
COX reactions | |
Nicotinamide salvaging | |
Synthesis of 15-eicosatetraenoic acid derivatives | |
Synthesis of 5-eicosatetraenoic acids | |
Synthesis of Leukotrienes (LT) and Eoxins (EX) | |
Synthesis of Lipoxins (LX) | |
Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |