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Target
Thyroid hormone receptor beta
Ligand
BDBM50123061
Substrate
n/a
Meas. Tech.
ChEMBL_447974 (CHEMBL898226)
IC50
0.871±n/a nM
Citation
 Liu, H; Gramatica, P QSAR study of selective ligands for the thyroid hormone receptor beta. Bioorg Med Chem 15:5251-61 (2007) [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:
BDBM50123061
Synonyms:
2-[4-(3-{8-azaspiro[bicyclo[3.2.1]octane-3,2'-[1,3]dioxolane]-8-ylsulfonyl}-4-hydroxyphenoxy)-3,5-dichlorophenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione | 2-{3,5-dichloro-4-[4-hydroxy-3-spiro[8-azabicyclo[3.2.1]octane-3,2'-(dihydro[1,3]dioxolane)]-8-ylsulfonylphenoxy]phenyl}-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione | CHEMBL125317
Type:
Small organic molecule
Emp. Form.:
C24H22Cl2N4O8S
Mol. Mass.:
597.424
SMILES:
Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)N1C2CCC1CC1(C2)OCCO1 |THB:24:27:33.32.34:29.30|
Structure:
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