| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2005 | 25 | Yes |
Popular Name: 4,6-dibromo-5-(4-hydroxy-3-isopropyl-phenoxy)-1H-indole-2-carboxylic 4,6-dibromo-5-(4-hydroxy-3-isopr…
| 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) | 6.13 | -2.47 | -42.71 | 2 | 5 | -1 | 85 | 468.121 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THA-1-E | Thyroid Hormone Receptor Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.48 | Binding ≤ 10μM |
| THB-1-E | Thyroid Hormone Receptor Beta-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| THA-1-E | Thyroid Hormone Receptor Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10 | 0.45 | Functional ≤ 10μM |
| THB-1-E | Thyroid Hormone Receptor Beta-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4 | 0.47 | Functional ≤ 10μM |
| Z80092-2-O | CHO-K1 (Ovarian Cells) (cluster #2 Of 2), Other | Other | 4 | 0.47 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THA_HUMAN | P10827 | Thyroid Hormone Receptor Alpha, Human | 2.5 | 0.48 | Binding ≤ 1μM |
| THB_HUMAN | P10828 | Thyroid Hormone Receptor Beta-1, Human | 0.28 | 0.53 | Binding ≤ 1μM |
| THA_HUMAN | P10827 | Thyroid Hormone Receptor Alpha, Human | 2.5 | 0.48 | Binding ≤ 10μM |
| THB_HUMAN | P10828 | Thyroid Hormone Receptor Beta-1, Human | 0.28 | 0.53 | Binding ≤ 10μM |
| Z80092 | Z80092 | CHO-K1 (Ovarian Cells) | 10 | 0.45 | Functional ≤ 10μM |
| THA_HUMAN | P10827 | Thyroid Hormone Receptor Alpha, Human | 10 | 0.45 | Functional ≤ 10μM |
| THB_HUMAN | P10828 | Thyroid Hormone Receptor Beta-1, Human | 4.2 | 0.47 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway |
