| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2009 | 39 | No |
Popular Name: 1-benzyl-5-[3-(4-octylphenoxy)-2-oxo-propoxy]indole-2-carboxylic 1-benzyl-5-[3-(4-octylphenoxy)-2…
| 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) | 8.34 | 20.96 | -64.21 | 0 | 6 | -1 | 81 | 526.653 | 16 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PA24A-2-E | Cytosolic Phospholipase A2 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 10000 | 0.18 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PA24A_HUMAN | P47712 | Cytosolic Phospholipase A2, Human | 10000 | 0.18 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Acyl chain remodeling of CL | |
| Acyl chain remodelling of PC | |
| Acyl chain remodelling of PE | |
| Acyl chain remodelling of PG | |
| Acyl chain remodelling of PI | |
| Acyl chain remodelling of PS | |
| ADP signalling through P2Y purinoceptor 1 | |
| Arachidonic acid metabolism | |
| Hydrolysis of LPC | |
| phospho-PLA2 pathway | |
| Platelet sensitization by LDL | |
| Synthesis of PA |
