| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 21 | 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) | 3.32 | 6.87 | -51.45 | 1 | 5 | -1 | 86 | 312.411 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 3.32 | 4.9 | -13.59 | 2 | 5 | 0 | 83 | 313.419 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TA2R-2-E | Thromboxane A2 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 172 | 0.45 | Binding ≤ 10μM |
| Z50587-4-O | Homo Sapiens (cluster #4 Of 9), Other | Other | 1500 | 0.39 | Functional ≤ 10μM |
| Z50592-6-O | Oryctolagus Cuniculus (cluster #6 Of 8), Other | Other | 400 | 0.43 | Functional ≤ 10μM |
| Z50597-9-O | Rattus Norvegicus (cluster #9 Of 12), Other | Other | 410 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TA2R_HUMAN | P21731 | Thromboxane A2 Receptor, Human | 172 | 0.45 | Binding ≤ 1μM |
| TA2R_HUMAN | P21731 | Thromboxane A2 Receptor, Human | 172 | 0.45 | Binding ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 1500 | 0.39 | Functional ≤ 10μM |
| Z50592 | Z50592 | Oryctolagus Cuniculus | 400 | 0.43 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 1600 | 0.39 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (12/13) signalling events | |
| G alpha (q) signalling events | |
| Prostanoid ligand receptors | |
| Thromboxane signalling through TP receptor |
