| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 29 | Yes |
Popular Name: (Z)-7-[(1S,2R,3R,4R)-3-[(2,4,6-trimethylphenyl)sulfonylamino]norbornan-2-yl]hept-5-enoic (Z)-7-[(1S,2R,3R,4R)-3-[(2,4,6-t…
| 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) | 5.16 | 11.69 | -51.32 | 1 | 5 | -1 | 86 | 418.579 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 5.16 | 9.71 | -13.25 | 2 | 5 | 0 | 83 | 419.587 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PD2R-1-E | Prostanoid DP Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5400 | 0.25 | Binding ≤ 10μM |
| PD2R-1-E | Prostanoid DP Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 130 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PD2R_HUMAN | Q13258 | Prostanoid DP Receptor, Human | 5400 | 0.25 | Binding ≤ 10μM |
| PD2R_HUMAN | Q13258 | Prostanoid DP Receptor, Human | 130 | 0.33 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (s) signalling events | |
| Prostanoid ligand receptors |
