| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2008 | 27 | No |
Popular Name: (7S)-7-(5-formyl-2-hydroxy-3,4,6-trimethyl-phenyl)-7-phenyl-heptanoic (7S)-7-(5-formyl-2-hydroxy-3,4,6…
| 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) | 5.43 | 11.02 | -53.51 | 1 | 4 | -1 | 77 | 367.465 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TA2R-1-E | Thromboxane A2 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 20 | 0.40 | Binding ≤ 10μM |
| Z50587-5-O | Homo Sapiens (cluster #5 Of 9), Other | Other | 1400 | 0.30 | Functional ≤ 10μM |
| Z50592-3-O | Oryctolagus Cuniculus (cluster #3 Of 8), Other | Other | 190 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TA2R_HUMAN | P21731 | Thromboxane A2 Receptor, Human | 20 | 0.40 | Binding ≤ 1μM |
| TA2R_HUMAN | P21731 | Thromboxane A2 Receptor, Human | 20 | 0.40 | Binding ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 1400 | 0.30 | Functional ≤ 10μM |
| Z50592 | Z50592 | Oryctolagus Cuniculus | 190 | 0.35 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (12/13) signalling events | |
| G alpha (q) signalling events | |
| Prostanoid ligand receptors | |
| Thromboxane signalling through TP receptor |
