| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 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) | 3.56 | 11.14 | -47.47 | 0 | 3 | -1 | 53 | 280.347 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.56 | 11.78 | -67.86 | 1 | 3 | 0 | 54 | 281.355 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TA2R-1-E | Thromboxane A2 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 8200 | 0.34 | Binding ≤ 10μM |
| THAS-1-E | Thromboxane-A Synthase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 49 | 0.49 | Binding ≤ 10μM |
| TA2R-1-E | Thromboxane A2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8200 | 0.34 | Functional ≤ 10μM |
| THAS-1-E | Thromboxane-A Synthase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 26 | 0.51 | Functional ≤ 10μM |
| Z50597-12-O | Rattus Norvegicus (cluster #12 Of 12), Other | Other | 250 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THAS_HUMAN | P24557 | Thromboxane-A Synthase, Human | 17 | 0.52 | Binding ≤ 1μM |
| TA2R_HUMAN | P21731 | Thromboxane A2 Receptor, Human | 8200 | 0.34 | Binding ≤ 10μM |
| THAS_HUMAN | P24557 | Thromboxane-A Synthase, Human | 17 | 0.52 | Binding ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 250 | 0.44 | Functional ≤ 10μM |
| TA2R_HUMAN | P21731 | Thromboxane A2 Receptor, Human | 8200 | 0.34 | Functional ≤ 10μM |
| THAS_HUMAN | P24557 | Thromboxane-A Synthase, Human | 0.89 | 0.60 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Eicosanoids | |
| G alpha (12/13) signalling events | |
| G alpha (q) signalling events | |
| Prostanoid ligand receptors | |
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) | |
| Thromboxane signalling through TP receptor |
No pre-computed analogs available. Try a structural similarity search.