| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 4th, 2006 | 42 | No |
None
| 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) | 9.82 | 1.2 | -12.08 | 2 | 5 | 0 | 61 | 590.784 | 16 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SOAT1-1-E | Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1000 | 0.20 | Binding ≤ 10μM |
| SOAT2-1-E | Acyl Coenzyme A:cholesterol Acyltransferase 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10 | 0.27 | Binding ≤ 10μM |
| SOAT1-1-E | Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 25 | 0.25 | Functional ≤ 10μM |
| SOAT2-1-E | Acyl Coenzyme A:cholesterol Acyltransferase 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 25 | 0.25 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 10 | 0.27 | Functional ≤ 10μM |
| Z81244-1-O | J774 (Macrophage Cells) (cluster #1 Of 1), Other | Other | 1000 | 0.20 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SOAT1_MOUSE | Q61263 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Mouse | 1000 | 0.20 | Binding ≤ 1μM |
| SOAT1_RAT | O70536 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat | 10 | 0.27 | Binding ≤ 1μM |
| SOAT2_RAT | Q7TQM4 | Acyl Coenzyme A:cholesterol Acyltransferase 2, Rat | 10 | 0.27 | Binding ≤ 1μM |
| SOAT2_MOUSE | O88908 | Acyl Coenzyme A:cholesterol Acyltransferase 2, Mouse | 1000 | 0.20 | Binding ≤ 1μM |
| SOAT1_RAT | O70536 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat | 10 | 0.27 | Binding ≤ 10μM |
| SOAT1_MOUSE | Q61263 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Mouse | 1000 | 0.20 | Binding ≤ 10μM |
| SOAT2_RAT | Q7TQM4 | Acyl Coenzyme A:cholesterol Acyltransferase 2, Rat | 10 | 0.27 | Binding ≤ 10μM |
| SOAT2_MOUSE | O88908 | Acyl Coenzyme A:cholesterol Acyltransferase 2, Mouse | 1000 | 0.20 | Binding ≤ 10μM |
| SOAT1_MOUSE | Q61263 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Mouse | 25 | 0.25 | Functional ≤ 10μM |
| SOAT2_MOUSE | O88908 | Acyl Coenzyme A:cholesterol Acyltransferase 2, Mouse | 25 | 0.25 | Functional ≤ 10μM |
| Z81244 | Z81244 | J774 (Macrophage Cells) | 1000 | 0.20 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 10 | 0.27 | Functional ≤ 10μM |
