| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2010 | 29 | 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) | 6.74 | 12.88 | -8.73 | 0 | 2 | 0 | 18 | 422.784 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ANDR-1-E | Androgen Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 2300 | 0.27 | Binding ≤ 10μM |
| GCR-1-E | Glucocorticoid Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1000 | 0.29 | Binding ≤ 10μM |
| NR1H2-1-E | LXR-beta (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3670 | 0.26 | Binding ≤ 10μM |
| NR1H3-1-E | LXR-alpha (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6660 | 0.25 | Binding ≤ 10μM |
| NR1I2-1-E | Pregnane X Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1770 | 0.28 | Binding ≤ 10μM |
| Z80548-1-O | THP-1 (Acute Monocytic Leukemia Cells) (cluster #1 Of 5), Other | Other | 541 | 0.30 | Functional ≤ 10μM |
| Z81020-3-O | HepG2 (Hepatoblastoma Cells) (cluster #3 Of 8), Other | Other | 2114 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GCR_HUMAN | P04150 | Glucocorticoid Receptor, Human | 1000 | 0.29 | Binding ≤ 1μM |
| NR1H3_HUMAN | Q13133 | LXR-alpha, Human | 179 | 0.33 | Binding ≤ 1μM |
| NR1H2_HUMAN | P55055 | LXR-beta, Human | 24 | 0.37 | Binding ≤ 1μM |
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 2300 | 0.27 | Binding ≤ 10μM |
| GCR_HUMAN | P04150 | Glucocorticoid Receptor, Human | 1000 | 0.29 | Binding ≤ 10μM |
| NR1H3_HUMAN | Q13133 | LXR-alpha, Human | 179 | 0.33 | Binding ≤ 10μM |
| NR1H2_HUMAN | P55055 | LXR-beta, Human | 24 | 0.37 | Binding ≤ 10μM |
| NR1I2_HUMAN | O75469 | Pregnane X Receptor, Human | 1770 | 0.28 | Binding ≤ 10μM |
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 1000 | 0.29 | Functional ≤ 10μM |
| Z80548 | Z80548 | THP-1 (Acute Monocytic Leukemia Cells) | 1275 | 0.28 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| BMAL1:CLOCK,NPAS2 activates circadian gene expression | |
| Nuclear Receptor transcription pathway |
