| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 29 | No |
Popular Name: 2-[1-(3-chlorobenzyl)-2-ethyl-3-oxamoyl-indol-4-yl]oxyacetate 2-[1-(3-chlorobenzyl)-2-ethyl-3-…
| 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) | 2.71 | -0.97 | -62.94 | 2 | 7 | -1 | 114 | 413.837 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PA21B-2-E | Phospholipase A2 Group 1B (cluster #2 Of 3), Eukaryotic | Eukaryotes | 390 | 0.31 | Binding ≤ 10μM |
| PA2GA-1-E | Phospholipase A2, Membrane Associated (cluster #1 Of 3), Eukaryotic | Eukaryotes | 7 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PA21B_HUMAN | P04054 | Phospholipase A2 Group 1B, Human | 390 | 0.31 | Binding ≤ 1μM |
| PA21B_PIG | P00592 | Phospholipase A2 Group 1B, Pig | 3 | 0.41 | Binding ≤ 1μM |
| PA2GA_HUMAN | P14555 | Phospholipase A2 Group IIA, Human | 25 | 0.37 | Binding ≤ 1μM |
| PA21B_HUMAN | P04054 | Phospholipase A2 Group 1B, Human | 390 | 0.31 | Binding ≤ 10μM |
| PA21B_PIG | P00592 | Phospholipase A2 Group 1B, Pig | 3 | 0.41 | Binding ≤ 10μM |
| PA2GA_HUMAN | P14555 | Phospholipase A2 Group IIA, Human | 25 | 0.37 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| 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 | |
| Synthesis of PA |
