In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2005 | 24 | Yes |
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) | 6.28 | 3.69 | -6.35 | 0 | 2 | 0 | 26 | 328.496 | 6 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
LOX5-4-E | Arachidonate 5-lipoxygenase (cluster #4 Of 6), Eukaryotic | Eukaryotes | 8000 | 0.30 | Binding ≤ 10μM |
PGH2-1-E | Cyclooxygenase-2 (cluster #1 Of 8), Eukaryotic | Eukaryotes | 3000 | 0.32 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
LOX5_RAT | P12527 | Arachidonate 5-lipoxygenase, Rat | 8000 | 0.30 | Binding ≤ 10μM |
PGH2_HUMAN | P35354 | Cyclooxygenase-2, Human | 3000 | 0.32 | Binding ≤ 10μM |
Description | Species |
---|---|
Nicotinamide salvaging | |
Synthesis of 15-eicosatetraenoic acid derivatives | |
Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |