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Target
Thyroid hormone receptor alpha [148-410]
Ligand
BDBM18832
Substrate
Peptide SRC2-2
Meas. Tech.
Fluorescence Polarization (FP) Competition Assay
pH
7.2±n/a
Temperature
295.15±n/a K
IC50
>100000±n/a nM
Comments
Viability (LD50) of ARO and U2OS cells in the presence of compound are >200 uM and >200 uM, respectively. The compound solubility in PBS buffer containing 5% DMSO is 14 uM. Permeability across an artificial membrane (PAMPA) of the compound is 0 x 10-6 cm/s.
Citation
 Arnold, LA; Kosinski, A; Estebanez-Perpina, E; Fletterick, RJ; Guy, RK Inhibitors of the Interaction of a Thyroid Hormone Receptor and Coactivators: Preliminary Structure-Activity Relationships. J Med Chem 50:5269-5280 (2007) [PubMed]  Article 
Target
Name:
Thyroid hormone receptor alpha [148-410]
Synonyms:
C-erbA-alpha | EAR-7 | EAR7 | ERBA1 | NR1A1 | THA_HUMAN | THRA | THRA1 | THRA2 | Thyroid Hormone Receptor (TR-alpha) | Thyroid hormone receptor alpha | c-erbA-1
Type:
Ligand-Binding Domain
Mol. Mass.:
29441.97
Organism:
Homo sapiens (Human)
Description:
The hTRalpha LBD (His6 residues E148 - V410) was cloned and expressed in E. coli.
Residue:
263
Sequence:
EEMIRSLQQRPEPTPEEWDLIHIATEAHRSTNAQGSHWKQRRKFLPDDIGQSPIVSMPDGDKVDLEAFSEFTKIITPAITRVVDFAKKLPMFSELPCEDQIILLKGCCMEIMSLRAAVRYDPESDTLTLSGEMAVKREQLKNGGLGVVSDAIFELGKSLSAFNLDDTEVALLQAVLLMSTDRSGLLCVDKIEKSQEAYLLAFEHYVNHRKHNIPHFWPKLLMKEREVQSSILYKGAAAEGRPGGSLGVHPEGQQLLGMHVVQV
  
Inhibitor
Name:
BDBM18832
Synonyms:
1-(4-hexylphenyl)propan-1-one | Enone, 4g
Type:
Small organic molecule
Emp. Form.:
C15H22O
Mol. Mass.:
218.3346
SMILES:
CCCCCCc1ccc(cc1)C(=O)CC
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Peptide SRC2-2
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
2334.76
Organism:
n/a
Description:
The peptide is labeled with 5-iodoacetamidofluorescien.
Residue:
20
Sequence:
CLKEKHKILHRLLQDSSSPV