| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 25th, 2010 | 35 | No |
Popular Name: 1-(3-dodecanoyl-2,4,6-trihydroxy-phenyl)dodecan-1-one 1-(3-dodecanoyl-2,4,6-trihydroxy…
| 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) | 9.50 | 15.74 | -16 | 3 | 5 | 0 | 95 | 490.725 | 22 | ↓ |
| Hi High (pH 8-9.5) | 9.50 | 17.58 | -122.91 | 1 | 5 | -2 | 100 | 488.709 | 22 | ↓ |
| Mid Mid (pH 6-8) | 9.50 | 16.86 | -62.48 | 2 | 5 | -1 | 98 | 489.717 | 22 | ↓ |
| Mid Mid (pH 6-8) | 9.50 | 16.47 | -37.67 | 2 | 5 | -1 | 98 | 489.717 | 22 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PA2G5-1-E | Phospholipase A2 Group V (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1600 | 0.23 | Binding ≤ 10μM |
| PA2GA-1-E | Phospholipase A2, Membrane Associated (cluster #1 Of 3), Eukaryotic | Eukaryotes | 110 | 0.28 | Binding ≤ 10μM |
| FFAR1-1-E | Free Fatty Acid Receptor 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 70 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PA2GA_RAT | P14423 | Phospholipase A2 Group IIA, Rat | 90 | 0.28 | Binding ≤ 1μM |
| PA2GA_MOUSE | P31482 | Phospholipase A2, Membrane Associated, Mouse | 110 | 0.28 | Binding ≤ 1μM |
| PA2GA_RABIT | P14422 | Phospholipase A2, Membrane Associated, Rabit | 10 | 0.32 | Binding ≤ 1μM |
| PA2GA_HUMAN | P14555 | Phospholipase A2 Group IIA, Human | 1600 | 0.23 | Binding ≤ 10μM |
| PA2GA_RAT | P14423 | Phospholipase A2 Group IIA, Rat | 90 | 0.28 | Binding ≤ 10μM |
| PA2G5_MOUSE | P97391 | Phospholipase A2 Group V, Mouse | 1600 | 0.23 | Binding ≤ 10μM |
| PA2G5_HUMAN | P39877 | Phospholipase A2 Group V, Human | 1600 | 0.23 | Binding ≤ 10μM |
| PA2GA_MOUSE | P31482 | Phospholipase A2, Membrane Associated, Mouse | 110 | 0.28 | Binding ≤ 10μM |
| PA2GA_RABIT | P14422 | Phospholipase A2, Membrane Associated, Rabit | 10 | 0.32 | Binding ≤ 10μM |
| FFAR1_HUMAN | O14842 | Free Fatty Acid Receptor 1, Human | 70 | 0.29 | Functional ≤ 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 | |
| Fatty Acids bound to GPR40 (FFAR1) regulate insulin secretion | |
| Free fatty acid receptors | |
| G alpha (q) signalling events | |
| Synthesis of PA | |
| Synthesis, secretion, and inactivation of Glucagon-like Peptide-1 (GLP-1) | |
| Synthesis, secretion, and inactivation of Glucose-dependent Insulinotropic Polyp |
