Physical Representations
|
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)
|
7.76 |
17.58 |
-52.6 |
0 |
4 |
-1 |
54 |
480.971 |
8 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
PA24A-2-E |
Cytosolic Phospholipase A2 (cluster #2 Of 3), Eukaryotic |
Eukaryotes |
5000 |
0.21 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
PA24A_HUMAN |
P47712
|
Cytosolic Phospholipase A2, Human |
5000 |
0.21 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| 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 |
|
No pre-computed analogs available. Try a structural similarity search.
