| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2008 | 22 | 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) | 5.80 | 10.82 | -51.24 | 0 | 2 | -1 | 40 | 299.434 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 5.80 | 9.72 | -6.32 | 1 | 2 | 0 | 37 | 300.442 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| RARA-1-E | Retinoic Acid Receptor Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 31 | 0.48 | Binding ≤ 10μM |
| RARB-2-E | Retinoic Acid Receptor Beta (cluster #2 Of 2), Eukaryotic | Eukaryotes | 8 | 0.52 | Binding ≤ 10μM |
| RARG-2-E | Retinoic Acid Receptor Gamma (cluster #2 Of 2), Eukaryotic | Eukaryotes | 60 | 0.46 | Binding ≤ 10μM |
| RXRA-1-E | Retinoid X Receptor Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 82 | 0.45 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| RARA_MOUSE | P11416 | Retinoic Acid Receptor Alpha, Mouse | 18 | 0.49 | Binding ≤ 1μM |
| RARA_HUMAN | P10276 | Retinoic Acid Receptor Alpha, Human | 102 | 0.44 | Binding ≤ 1μM |
| RARB_HUMAN | P10826 | Retinoic Acid Receptor Beta, Human | 3.3 | 0.54 | Binding ≤ 1μM |
| RARB_MOUSE | P22605 | Retinoic Acid Receptor Beta, Mouse | 27 | 0.48 | Binding ≤ 1μM |
| RARG_MOUSE | P18911 | Retinoic Acid Receptor Gamma, Mouse | 10 | 0.51 | Binding ≤ 1μM |
| RARG_HUMAN | P13631 | Retinoic Acid Receptor Gamma, Human | 6 | 0.52 | Binding ≤ 1μM |
| RXRA_HUMAN | P19793 | Retinoid X Receptor Alpha, Human | 13 | 0.50 | Binding ≤ 1μM |
| RXRA_MOUSE | P28700 | Retinoid X Receptor Alpha, Mouse | 27 | 0.48 | Binding ≤ 1μM |
| RARA_MOUSE | P11416 | Retinoic Acid Receptor Alpha, Mouse | 18 | 0.49 | Binding ≤ 10μM |
| RARA_HUMAN | P10276 | Retinoic Acid Receptor Alpha, Human | 102 | 0.44 | Binding ≤ 10μM |
| RARB_HUMAN | P10826 | Retinoic Acid Receptor Beta, Human | 3.3 | 0.54 | Binding ≤ 10μM |
| RARB_MOUSE | P22605 | Retinoic Acid Receptor Beta, Mouse | 27 | 0.48 | Binding ≤ 10μM |
| RARG_MOUSE | P18911 | Retinoic Acid Receptor Gamma, Mouse | 10 | 0.51 | Binding ≤ 10μM |
| RARG_HUMAN | P13631 | Retinoic Acid Receptor Gamma, Human | 6 | 0.52 | Binding ≤ 10μM |
| RXRA_MOUSE | P28700 | Retinoid X Receptor Alpha, Mouse | 27 | 0.48 | Binding ≤ 10μM |
| RXRA_HUMAN | P19793 | Retinoid X Receptor Alpha, Human | 13 | 0.50 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of gene expression by SREBF (SREBP) | |
| BMAL1:CLOCK,NPAS2 activates circadian gene expression | |
| Circadian Clock | |
| Endogenous sterols | |
| Import of palmitoyl-CoA into the mitochondrial matrix | |
| Nuclear Receptor transcription pathway | |
| PPARA activates gene expression | |
| Recycling of bile acids and salts | |
| Regulation of lipid metabolism by Peroxisome proliferator-activated receptor alp | |
| Regulation of pyruvate dehydrogenase (PDH) complex | |
| REV-ERBA represses gene expression | |
| RORA activates circadian gene expression | |
| Synthesis of bile acids and bile salts | |
| Synthesis of bile acids and bile salts via 27-hydroxycholesterol | |
| Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol | |
| Transcriptional activation of mitochondrial biogenesis | |
| Transcriptional Regulation of Adipocyte Differentiation in 3T3-L1 Pre-adipocytes | |
| Transcriptional regulation of white adipocyte differentiation | |
| YAP1- and WWTR1 (TAZ)-stimulated gene expression |
No pre-computed analogs available. Try a structural similarity search.