Reaction Details Report a problem with these data
Target
Thyroid hormone receptor alpha
Ligand
BDBM50605657
Substrate
n/a
Meas. Tech.
ChEMBL_2252577 (CHEMBL5166787)
EC50
16±n/a nM
Citation
 Li, Q; Yao, B; Zhao, S; Lu, Z; Zhang, Y; Xiang, Q; Wu, X; Yu, H; Zhang, C; Li, J; Zhuang, X; Wu, D; Li, Y; Xu, Y Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor ? Agonist. J Med Chem 65:7193-7211 (2022) [PubMed] 
Target
Name:
Thyroid hormone receptor alpha
Synonyms:
C-erbA-alpha | EAR-7 | EAR7 | ERBA1 | NR1A1 | Nuclear receptor subfamily 1 group A member 1 | THA_HUMAN | THRA | THRA1 | THRA2 | Thyroid Hormone Receptor (TR-alpha) | Thyroid hormone receptor | Thyroid hormone receptor alpha | Thyroid hormone receptor apha | c-erbA-1
Type:
Receptor
Mol. Mass.:
54818.00
Organism:
Homo sapiens (Human)
Description:
Recombinant hThR was obtained from nuclear extracts from SF9 cells infected with baculovirus vectors encoding for ThRalpha 1.
Residue:
490
Sequence:
MEQKPSKVECGSDPEENSARSPDGKRKRKNGQCSLKTSMSGYIPSYLDKDEQCVVCGDKATGYHYRCITCEGCKGFFRRTIQKNLHPTYSCKYDSCCVIDKITRNQCQLCRFKKCIAVGMAMDLVLDDSKRVAKRKLIEQNRERRRKEEMIRSLQQRPEPTPEEWDLIHIATEAHRSTNAQGSHWKQRRKFLPDDIGQSPIVSMPDGDKVDLEAFSEFTKIITPAITRVVDFAKKLPMFSELPCEDQIILLKGCCMEIMSLRAAVRYDPESDTLTLSGEMAVKREQLKNGGLGVVSDAIFELGKSLSAFNLDDTEVALLQAVLLMSTDRSGLLCVDKIEKSQEAYLLAFEHYVNHRKHNIPHFWPKLLMKEREVQSSILYKGAAAEGRPGGSLGVHPEGQQLLGMHVVQGPQVRQLEQQLGEAGSLQGPVLQHQSPKSPQQRLLELLHRSGILHARAVCGEDDSSEADSPSSSEEEPEVCEDLAGNAASP
  
Inhibitor
Name:
BDBM50605657
Synonyms:
CHEMBL5180999
Type:
Small organic molecule
Emp. Form.:
C27H24N2O6
Mol. Mass.:
472.4893
SMILES:
COc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3ccc(CCc4ccccc4)cc3)cc12
Structure:
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