| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 29 | Yes |
| 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) | 3.22 | 10.62 | -54.35 | 0 | 6 | -1 | 82 | 415.466 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GPR44-1-E | G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.42 | Binding ≤ 10μM |
| GPR44-1-E | G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6 | 0.40 | Binding ≤ 10μM |
| PD2R-1-E | Prostanoid DP Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 653 | 0.30 | Binding ≤ 10μM |
| PD2R-1-E | Prostanoid DP Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1200 | 0.29 | Binding ≤ 10μM |
| TA2R-1-E | Thromboxane A2 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1394 | 0.28 | Binding ≤ 10μM |
| TA2R-1-E | Thromboxane A2 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6852 | 0.25 | Binding ≤ 10μM |
| GPR44-1-E | G Protein-coupled Receptor 44 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3 | 0.41 | Functional ≤ 10μM |
| Z81011-1-O | Human Cell Lines (cluster #1 Of 3), Other | Other | 3 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GPR44_HUMAN | Q9Y5Y4 | G Protein-coupled Receptor 44, Human | 6 | 0.40 | Binding ≤ 1μM |
| PD2R_HUMAN | Q13258 | Prostanoid DP Receptor, Human | 653 | 0.30 | Binding ≤ 1μM |
| GPR44_HUMAN | Q9Y5Y4 | G Protein-coupled Receptor 44, Human | 6 | 0.40 | Binding ≤ 10μM |
| PD2R_HUMAN | Q13258 | Prostanoid DP Receptor, Human | 653 | 0.30 | Binding ≤ 10μM |
| TA2R_HUMAN | P21731 | Thromboxane A2 Receptor, Human | 1394 | 0.28 | Binding ≤ 10μM |
| GPR44_HUMAN | Q9Y5Y4 | G Protein-coupled Receptor 44, Human | 1.2 | 0.43 | Functional ≤ 10μM |
| Z81011 | Z81011 | Human Cell Lines | 1.2 | 0.43 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (12/13) signalling events | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| Prostanoid ligand receptors | |
| Thromboxane signalling through TP receptor |
No pre-computed analogs available. Try a structural similarity search.