In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2010 | 25 | Yes |
Popular Name: (2R,3S,4aR,10aR)-4a-ethyl-2-phenyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,3,7-triol (2R,3S,4aR,10aR)-4a-ethyl-2-phen…
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) | 4.01 | 4 | -6.76 | 3 | 3 | 0 | 61 | 338.447 | 2 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ESR1-1-E | Estrogen Receptor Alpha (cluster #1 Of 5), Eukaryotic | Eukaryotes | 3400 | 0.31 | Binding ≤ 10μM |
ESR2-1-E | Estrogen Receptor Beta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 660 | 0.35 | Binding ≤ 10μM |
GCR-1-E | Glucocorticoid Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3 | 0.48 | Binding ≤ 10μM |
PRGR-2-E | Progesterone Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 750 | 0.34 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ESR2_HUMAN | Q92731 | Estrogen Receptor Beta, Human | 660 | 0.35 | Binding ≤ 1μM |
GCR_HUMAN | P04150 | Glucocorticoid Receptor, Human | 140 | 0.38 | Binding ≤ 1μM |
PRGR_HUMAN | P06401 | Progesterone Receptor, Human | 750 | 0.34 | Binding ≤ 1μM |
ESR1_HUMAN | P03372 | Estrogen Receptor Alpha, Human | 3400 | 0.31 | Binding ≤ 10μM |
ESR2_HUMAN | Q92731 | Estrogen Receptor Beta, Human | 660 | 0.35 | Binding ≤ 10μM |
GCR_HUMAN | P04150 | Glucocorticoid Receptor, Human | 140 | 0.38 | Binding ≤ 10μM |
PRGR_HUMAN | P06401 | Progesterone Receptor, Human | 750 | 0.34 | Binding ≤ 10μM |
Description | Species |
---|---|
BMAL1:CLOCK,NPAS2 activates circadian gene expression | |
Nuclear Receptor transcription pathway | |
Nuclear signaling by ERBB4 |