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Target
Thyrotropin receptor
Ligand
BDBM50614113
Substrate
n/a
Meas. Tech.
ChEMBL_2295689
IC50
97±n/a nM
Citation
 Karstens, WFJ; M B P Menge, W; Martens, G; Op Het Veld, SJN; Th H van Eupen, J; Demon, M; van Achterberg, TAE; Arisse-Thijssen, MJ; Santegoeds-Lenssen, EWH; van der Lee, MMC; Ubink, R; Arends, RJ; Sesink, A; Blomenröhr, M; Marco Timmers, C Discovery of SYD5115, a novel orally active small molecule TSH-R antagonist. Bioorg Med Chem 84:0 (2023) [PubMed]
Target
Name:
Thyrotropin receptor
Synonyms:
TSH-R | Thyroid-stimulating hormone receptor | Thyrotropin receptor | Tshr
Type:
PROTEIN
Mol. Mass.:
86483.30
Organism:
Rattus norvegicus
Description:
ChEMBL_120938
Residue:
764
Sequence:
MRPGSLLQLTLLLALPRSLWGRGCTSPPCECHQEDDFRVTCKELHQIPSLPPSTQTLKLIETHLKTIPSLAFSSLPNISRIYLSIDATLQRLEPHSFYNLSKMTHIEIRNTRSLTYIDPDALTELPLLKFLGIFNTGLRIFPDLTKIYSTDVFFILEITDNPYMTSVPENAFQGLCNETLTLKLYNNGFTSIQGHAFNGTKLDAVYLNKNKYLTAIDKDAFGGVYSGPTLLDVSSTSVTALPSKGLEHLKELIAKNTWTLKKLPLSLSFLHLTRADLSYPSHCCAFKNQKKIRGILESLMCNESSIRNLRQRKSVNVMRGPVYQEYEEGLGDNHVGYKQNSKFQEGPSNSHYYVFFEEQEDEIIGFGQELKNPQEETLQAFDSHYDYTVCGDNEDMVCTPKSDEFNPCEDIMGYKFLRIVVWFVSPMALLGNVFVLFVLLTSHYKLTVPRFLMCNLAFADFCMGVYLLLIASVDLYTHTEYYNHAIDWQTGPGCNTAGFFTVFASELSVYTLTVITLERWYAITFAMRLDRKIRLRHAYTIMAGGWVSCFLLALLPMVGISSYAKVSICLPMDTDTPLALAYIALVLLLNVVAFVIVCSCYVKIYITVRNPQYNPRDKDTKIAKRMAVLIFTDFMCMAPISFYALSALMNKPLITVTNSGVLLVLFYPLNSCANPFLYAIFTKAFQRDVFILLSKFGLCKHQAQAYQAQRVCPNNNTGIQIQKIPQDTRQSLPNVQDTYEPLGSSHLTPKLQGRISEEYTQTAL
  
Inhibitor
Name:
BDBM50614113
Synonyms:
CHEMBL5275140
Type:
Small organic molecule
Emp. Form.:
C22H32F2N4O3
Mol. Mass.:
438.5113
SMILES:
CC(C)C(C)(C)OC(=O)Nc1ncc2N(C(C)=O)C(C)(C)C3(CCC(F)(F)CC3)c2n1
Structure:
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