| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2009 | 42 | No |
Popular Name: 3-[4-[(2R)-3-decoxy-2-tetradecoxy-propoxy]phenyl]-4H-1,2,4-oxadiazol-5-one 3-[4-[(2R)-3-decoxy-2-tetradecox…
| 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) | 9.74 | 19.4 | -47.15 | 0 | 7 | -1 | 90 | 587.866 | 29 | ↓ |
| Lo Low (pH 4.5-6) | 9.65 | 21.95 | -11.09 | 1 | 7 | 0 | 87 | 588.874 | 29 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PA21B-2-E | Phospholipase A2 Group 1B (cluster #2 Of 3), Eukaryotic | Eukaryotes | 10000 | 0.17 | Binding ≤ 10μM |
| PA2G5-1-E | Phospholipase A2 Group V (cluster #1 Of 2), Eukaryotic | Eukaryotes | 550 | 0.21 | Binding ≤ 10μM |
| PA2GA-1-E | Phospholipase A2, Membrane Associated (cluster #1 Of 3), Eukaryotic | Eukaryotes | 280 | 0.22 | Binding ≤ 10μM |
| PA2GX-1-E | Group X Secretory Phospholipase A2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1000 | 0.20 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PA2GX_HUMAN | O15496 | Group X Secretory Phospholipase A2, Human | 1000 | 0.20 | Binding ≤ 1μM |
| PA2GA_HUMAN | P14555 | Phospholipase A2 Group IIA, Human | 1000 | 0.20 | Binding ≤ 1μM |
| PA2G5_HUMAN | P39877 | Phospholipase A2 Group V, Human | 550 | 0.21 | Binding ≤ 1μM |
| PA2GX_HUMAN | O15496 | Group X Secretory Phospholipase A2, Human | 1000 | 0.20 | Binding ≤ 10μM |
| PA21B_HUMAN | P04054 | Phospholipase A2 Group 1B, Human | 10000 | 0.17 | Binding ≤ 10μM |
| PA2GA_HUMAN | P14555 | Phospholipase A2 Group IIA, Human | 1000 | 0.20 | Binding ≤ 10μM |
| PA2G5_HUMAN | P39877 | Phospholipase A2 Group V, Human | 550 | 0.21 | 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 |
