| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 29th, 2008 | 34 | 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) | 4.21 | 8.34 | -17.57 | 2 | 7 | 0 | 102 | 482.43 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ANDR-1-E | Androgen Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 501 | 0.26 | Binding ≤ 10μM |
| GCR-1-E | Glucocorticoid Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 8 | 0.33 | Binding ≤ 10μM |
| MCR-2-E | Mineralocorticoid Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 8 | 0.33 | Binding ≤ 10μM |
| PRGR-2-E | Progesterone Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 22 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 501.187234 | 0.26 | Binding ≤ 1μM |
| GCR_HUMAN | P04150 | Glucocorticoid Receptor, Human | 1 | 0.37 | Binding ≤ 1μM |
| MCR_HUMAN | P08235 | Mineralocorticoid Receptor, Human | 130 | 0.28 | Binding ≤ 1μM |
| PRGR_HUMAN | P06401 | Progesterone Receptor, Human | 12.5892541 | 0.33 | Binding ≤ 1μM |
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 501.187234 | 0.26 | Binding ≤ 10μM |
| GCR_HUMAN | P04150 | Glucocorticoid Receptor, Human | 1 | 0.37 | Binding ≤ 10μM |
| MCR_HUMAN | P08235 | Mineralocorticoid Receptor, Human | 130 | 0.28 | Binding ≤ 10μM |
| PRGR_HUMAN | P06401 | Progesterone Receptor, Human | 12.5892541 | 0.33 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| BMAL1:CLOCK,NPAS2 activates circadian gene expression | |
| Nuclear Receptor transcription pathway | |
| Nuclear signaling by ERBB4 |
