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Target
Thyrotropin receptor
Ligand
BDBM50614126
Substrate
n/a
Meas. Tech.
ChEMBL_2295691
IC50
85±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:
LGR3 | TSH-R | TSHR | TSHR_HUMAN | Thyroid stimulating hormone receptor | Thyroid-stimulating hormone receptor | Thyroid-stimulating hormone receptor (TSH) | Thyrotropin receptor
Type:
Enzyme
Mol. Mass.:
86834.44
Organism:
Homo sapiens (Human)
Description:
P16473
Residue:
764
Sequence:
MRPADLLQLVLLLDLPRDLGGMGCSSPPCECHQEEDFRVTCKDIQRIPSLPPSTQTLKLIETHLRTIPSHAFSNLPNISRIYVSIDVTLQQLESHSFYNLSKVTHIEIRNTRNLTYIDPDALKELPLLKFLGIFNTGLKMFPDLTKVYSTDIFFILEITDNPYMTSIPVNAFQGLCNETLTLKLYNNGFTSVQGYAFNGTKLDAVYLNKNKYLTVIDKDAFGGVYSGPSLLDVSQTSVTALPSKGLEHLKELIARNTWTLKKLPLSLSFLHLTRADLSYPSHCCAFKNQKKIRGILESLMCNESSMQSLRQRKSVNALNSPLHQEYEENLGDSIVGYKEKSKFQDTHNNAHYYVFFEEQEDEIIGFGQELKNPQEETLQAFDSHYDYTICGDSEDMVCTPKSDEFNPCEDIMGYKFLRIVVWFVSLLALLGNVFVLLILLTSHYKLNVPRFLMCNLAFADFCMGMYLLLIASVDLYTHSEYYNHAIDWQTGPGCNTAGFFTVFASELSVYTLTVITLERWYAITFAMRLDRKIRLRHACAIMVGGWVCCFLLALLPLVGISSYAKVSICLPMDTETPLALAYIVFVLTLNIVAFVIVCCCYVKIYITVRNPQYNPGDKDTKIAKRMAVLIFTDFICMAPISFYALSAILNKPLITVSNSKILLVLFYPLNSCANPFLYAIFTKAFQRDVFILLSKFGICKRQAQAYRGQRVPPKNSTDIQVQKVTHDMRQGLHNMEDVYELIENSHLTPKKQGQISEEYMQTVL
  
Inhibitor
Name:
BDBM50614126
Synonyms:
CHEMBL5268829
Type:
Small organic molecule
Emp. Form.:
C20H28F2N4O3
Mol. Mass.:
410.4581
SMILES:
CC(=O)N1c2cnc(NC(=O)OC(C)(C)C)nc2C2(CCC(F)(F)CC2)C1(C)C
Structure:
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