Reaction Details Report a problem with these data
Target
Thyroid hormone receptor beta [209-461]
Ligand
BDBM18840
Substrate
Peptide SRC2-2
Meas. Tech.
Fluorescence Polarization (FP) Competition Assay
IC50
69100±n/a nM
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 beta [209-461]
Synonyms:
ERBA2 | NR1A2 | THB_HUMAN | THR1 | THRB | Thyroid Hormone Receptor (TR-beta)
Type:
Ligand-Binding Domain
Mol. Mass.:
28584.77
Organism:
Homo sapiens (Human)
Description:
The hTRbeta LBD (His6 T209-D461) was cloned and expressed in E. coli.
Residue:
253
Sequence:
THKPEPTDEEWELIKTVTEAHVATNAQGSHWKQKRKFLPEDIGQAPIVNAPEGGKVDLEAFSHFTKIITPAITRVVDFAKKLPMFCELPCEDQIILLKGCCMEIMSLRAAVRYDPESETLTLNGEMAVTRGQLKNGGLGVVSDAIFDLGMSLSSFNLDDTEVALLQAVLLMSSDRPGLACVERIEKYQDSFLLAFEHYINYRKHHVTHFWPKLLMKVTDLRMIGACHASRFLHMKVECPTELFPPLFLEVFED
  
Inhibitor
Name:
BDBM18840
Synonyms:
4-(2-methylbutan-2-yl)cyclohexyl prop-2-enoate | Substituted Acrylate, 6h
Type:
Small organic molecule
Emp. Form.:
C14H24O2
Mol. Mass.:
224.3392
SMILES:
CCC(C)(C)C1CCC(CC1)OC(=O)C=C |(22,-28.08,;20.71,-27.32,;20.65,-25.77,;22.21,-25.77,;19.15,-25.77,;20.65,-24.21,;22,-23.51,;22.05,-21.95,;20.71,-21.2,;19.36,-21.9,;19.31,-23.46,;20.71,-19.64,;19.36,-18.89,;19.36,-17.33,;18.02,-19.64,;16.68,-18.83,)|
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