| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2005 | 30 | No |
Popular Name: COCc1cccc(c1)C[C@@H](/C=C/[C@H]2[C@@H](CC(=O)[C@@H]2CCSCCCC(=O)O)O)O COCc1cccc(c1)C[C@@H](/C=C/[C@H]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) | 1.42 | -3.71 | -54.6 | 2 | 6 | -1 | 106 | 435.562 | 13 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PE2R2-2-E | Prostanoid EP2 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 620 | 0.29 | Binding ≤ 10μM |
| PE2R3-2-E | Prostanoid EP3 Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 56 | 0.34 | Binding ≤ 10μM |
| PE2R4-2-E | Prostanoid EP4 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1 | 0.42 | Binding ≤ 10μM |
| PE2R4-1-E | Prostanoid EP4 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PE2R2_MOUSE | Q62053 | Prostanoid EP2 Receptor, Mouse | 620 | 0.29 | Binding ≤ 1μM |
| PE2R3_MOUSE | P30557 | Prostanoid EP3 Receptor, Mouse | 56 | 0.34 | Binding ≤ 1μM |
| PE2R4_MOUSE | P32240 | Prostanoid EP4 Receptor, Mouse | 0.7 | 0.43 | Binding ≤ 1μM |
| PE2R2_MOUSE | Q62053 | Prostanoid EP2 Receptor, Mouse | 620 | 0.29 | Binding ≤ 10μM |
| PE2R3_MOUSE | P30557 | Prostanoid EP3 Receptor, Mouse | 56 | 0.34 | Binding ≤ 10μM |
| PE2R4_MOUSE | P32240 | Prostanoid EP4 Receptor, Mouse | 0.7 | 0.43 | Binding ≤ 10μM |
| PE2R4_MOUSE | P32240 | Prostanoid EP4 Receptor, Mouse | 1.6 | 0.41 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (s) signalling events | |
| Prostanoid ligand receptors |
