| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 26 | 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) | 6.52 | 12.57 | -35.1 | 2 | 2 | 1 | 25 | 366.654 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EBP-1-E | 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.48 | Binding ≤ 10μM |
| ERG7-2-E | Lanosterol Synthase (cluster #2 Of 3), Eukaryotic | Eukaryotes | 2000 | 0.31 | Binding ≤ 10μM |
| SGMR1-3-E | Sigma Opioid Receptor (cluster #3 Of 6), Eukaryotic | Eukaryotes | 1 | 0.48 | Binding ≤ 10μM |
| ERG2-2-F | C-8 Sterol Isomerase (cluster #2 Of 2), Fungal | Fungi | 0 | 0.00 | Binding ≤ 10μM |
| Z81020-4-O | HepG2 (Hepatoblastoma Cells) (cluster #4 Of 8), Other | Other | 70 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EBP_HUMAN | Q15125 | 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase, Human | 0.6 | 0.50 | Binding ≤ 1μM |
| ERG2_YEAST | P32352 | C-8 Sterol Isomerase, Yeast | 0.4 | 0.51 | Binding ≤ 1μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 0.5 | 0.50 | Binding ≤ 1μM |
| EBP_HUMAN | Q15125 | 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase, Human | 0.6 | 0.50 | Binding ≤ 10μM |
| ERG2_YEAST | P32352 | C-8 Sterol Isomerase, Yeast | 0.4 | 0.51 | Binding ≤ 10μM |
| ERG7_RAT | P48450 | Lanosterol Synthase, Rat | 2000 | 0.31 | Binding ≤ 10μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 0.5 | 0.50 | Binding ≤ 10μM |
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 70 | 0.39 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Cholesterol biosynthesis |
