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Target
Thyroid hormone receptor beta
Ligand
BDBM18885
Substrate
BDBM18860
Meas. Tech.
TRbeta-Binding Assay
pH
7±n/a
Temperature
277.15±n/a K
IC50
20±7 nM
Citation
 Koehler, K; Gordon, S; Brandt, P; Carlsson, B; Bäcksbro-Saeidi, A; Apelqvist, T; Agback, P; Grover, GJ; Nelson, W; Grynfarb, M; Färnegård, M; Rehnmark, S; Malm, J Thyroid receptor ligands. 6. A high affinity "direct antagonist" selective for the thyroid hormone receptor. J Med Chem 49:6635-7 (2006) [PubMed]  Article 
Target
Name:
Thyroid hormone receptor beta
Synonyms:
ERBA2 | NR1A2 | Nuclear receptor subfamily 1 group A member 2 | THB_HUMAN | THR1 | THRB | c-erbA-2 | c-erbA-beta
Type:
Receptor
Mol. Mass.:
52793.62
Organism:
Homo sapiens (Human)
Description:
Recombinant hThR was obtained from nuclear extracts from SF9 cells infected with baculovirus vectors encoding for ThRbeta 1.
Residue:
461
Sequence:
MTPNSMTENGLTAWDKPKHCPDREHDWKLVGMSEACLHRKSHSERRSTLKNEQSSPHLIQTTWTSSIFHLDHDDVNDQSVSSAQTFQTEEKKCKGYIPSYLDKDELCVVCGDKATGYHYRCITCEGCKGFFRRTIQKNLHPSYSCKYEGKCVIDKVTRNQCQECRFKKCIYVGMATDLVLDDSKRLAKRKLIEENREKRRREELQKSIGHKPEPTDEEWELIKTVTEAHVATNAQGSHWKQKRKFLPEDIGQAPIVNAPEGGKVDLEAFSHFTKIITPAITRVVDFAKKLPMFCELPCEDQIILLKGCCMEIMSLRAAVRYDPESETLTLNGEMAVTRGQLKNGGLGVVSDAIFDLGMSLSSFNLDDTEVALLQAVLLMSSDRPGLACVERIEKYQDSFLLAFEHYINYRKHHVTHFWPKLLMKVTDLRMIGACHASRFLHMKVECPTELFPPLFLEVFED
  
Inhibitor
Name:
BDBM18885
Synonyms:
2-[4-({4-hydroxy-3-[2-(4-nitrophenyl)ethynyl]-5-(propan-2-yl)phenyl}methyl)-3,5-dimethylphenoxy]acetic acid | CHEMBL109279 | JMC496635 Compound 5 | thyromimetic, 5b
Type:
Small organic molecule
Emp. Form.:
C28H27NO6
Mol. Mass.:
473.5171
SMILES:
CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C#Cc2ccc(cc2)[N+]([O-])=O)c1O
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM18860
Synonyms:
(2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid | (2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid | 3,5,3'-triiodo-L-thyronine (T3) | CHEMBL1544 | Triiodothyronine | Triiodothyronine (T3) | US10544075, Compound T3 | [125I]T3 | liothyronine | triothyrone
Type:
Hormone
Emp. Form.:
C15H12I3NO4
Mol. Mass.:
650.9735
SMILES:
N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r|
Structure:
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