Reaction Details Report a problem with these data
Target
Thyroid hormone receptor beta [209-461]
Ligand
BDBM18818
Substrate
Peptide SRC2-2
Meas. Tech.
Fluorescence Polarization (FP) Competition Assay
IC50
2700±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:
BDBM18818
Synonyms:
1-(4-hexylphenyl)-3-(morpholin-4-yl)propan-1-one | beta-Aminophenylketone, 3e
Type:
Small organic molecule
Emp. Form.:
C19H29NO2
Mol. Mass.:
303.4391
SMILES:
CCCCCCc1ccc(cc1)C(=O)CCN1CCOCC1
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