| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2006 | 30 | Yes |
Popular Name: 7-(2-benzothiophen-7-ylcarbonylamino-6,6-dimethyl-norpinan-3-yl)hept-5-enoic 7-(2-benzothiophen-7-ylcarbonyla…
| 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) | 5.89 | 0.52 | -59.64 | 1 | 4 | -1 | 69 | 424.586 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PD2R-1-E | Prostanoid DP Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 26 | 0.35 | Binding ≤ 10μM |
| TA2R-2-E | Thromboxane A2 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 210 | 0.31 | Binding ≤ 10μM |
| PD2R-1-E | Prostanoid DP Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PD2R_HUMAN | Q13258 | Prostanoid DP Receptor, Human | 26 | 0.35 | Binding ≤ 1μM |
| TA2R_HUMAN | P21731 | Thromboxane A2 Receptor, Human | 210 | 0.31 | Binding ≤ 1μM |
| PD2R_HUMAN | Q13258 | Prostanoid DP Receptor, Human | 26 | 0.35 | Binding ≤ 10μM |
| TA2R_HUMAN | P21731 | Thromboxane A2 Receptor, Human | 210 | 0.31 | Binding ≤ 10μM |
| PD2R_HUMAN | Q13258 | Prostanoid DP Receptor, Human | 5.6 | 0.39 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (12/13) signalling events | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| Prostanoid ligand receptors | |
| Thromboxane signalling through TP receptor |
