| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2009 | 19 | Yes |
Popular Name: 5-(imidazol-1-ylmethyl)-3-methyl-benzothiophene-2-carboxylic 5-(imidazol-1-ylmethyl)-3-methyl…
| 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) | 2.72 | 9.33 | -58.74 | 0 | 4 | -1 | 58 | 271.321 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.72 | 9.81 | -83.74 | 1 | 4 | 0 | 59 | 272.329 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THAS-2-E | Thromboxane-A Synthase (cluster #2 Of 3), Eukaryotic | Eukaryotes | 29 | 0.56 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THAS_HUMAN | P24557 | Thromboxane-A Synthase, Human | 29 | 0.56 | Binding ≤ 1μM |
| THAS_HUMAN | P24557 | Thromboxane-A Synthase, Human | 29 | 0.56 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Eicosanoids | |
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
