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Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50274927
Substrate
n/a
Meas. Tech.
ChEMBL_495151 (CHEMBL1008930)
Ki
71±n/a nM
Citation
 Chen, C; Wu, D; Guo, Z; Xie, Q; Reinhart, GJ; Madan, A; Wen, J; Chen, T; Huang, CQ; Chen, M; Chen, Y; Tucci, FC; Rowbottom, M; Pontillo, J; Zhu, YF; Wade, W; Saunders, J; Bozigian, H; Struthers, RS Discovery of sodium R-(+)-4-{2-[5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-[trifluoromethyl]benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenylethylamino}butyrate (elagolix), a potent and orally available nonpeptide antagonist of the human gonadotropin-releasing hormone receptor. J Med Chem 51:7478-85 (2009) [PubMed]  Article 
Target
Name:
Gonadotropin-releasing hormone receptor
Synonyms:
GNRHR | GNRHR_HUMAN | GRHR | GnRH receptor | GnRH-R | Gonadotropin releasing hormone 1 (GnRHR1) | Gonadotropin-releasing hormone receptor | Gonadotropin-releasing hormone receptor (GnRH)
Type:
Enzyme
Mol. Mass.:
37749.45
Organism:
Homo sapiens (Human)
Description:
P30968
Residue:
328
Sequence:
MANSASPEQNQNHCSAINNSIPLMQGNLPTLTLSGKIRVTVTFFLFLLSATFNASFLLKLQKWTQKKEKGKKLSRMKLLLKHLTLANLLETLIVMPLDGMWNITVQWYAGELLCKVLSYLKLFSMYAPAFMMVVISLDRSLAITRPLALKSNSKVGQSMVGLAWILSSVFAGPQLYIFRMIHLADSSGQTKVFSQCVTHCSFSQWWHQAFYNFFTFSCLFIIPLFIMLICNAKIIFTLTRVLHQDPHELQLNQSKNNIPRARLKTLKMTVAFATSFTVCWTPYYVLGIWYWFDPEMLNRLSDPVNHFFFLFAFLNPCFDPLIYGYFSL
  
Inhibitor
Name:
BDBM50274927
Synonyms:
(R)-2-{2-[5-(2-Fluoro-3-methoxyphenyl)-3-(2-fluoro-6-[trifluoromethyl]benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenylethylamino}acetic Acid | CHEMBL509440
Type:
Small organic molecule
Emp. Form.:
C30H26F5N3O5
Mol. Mass.:
603.5366
SMILES:
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](NCC(O)=O)c2ccccc2)c1=O |r,wD:29.31,(15.42,-11.27,;14.08,-12.03,;12.75,-11.26,;12.76,-9.72,;11.42,-8.94,;10.09,-9.71,;10.09,-11.25,;11.42,-12.02,;11.41,-13.56,;8.76,-12.01,;8.76,-13.55,;10.09,-14.32,;7.43,-14.31,;7.43,-15.85,;8.76,-16.62,;10.08,-15.85,;11.41,-15.07,;11.42,-16.61,;11.42,-18.16,;10.08,-18.93,;8.75,-18.16,;7.42,-18.93,;6.07,-19.69,;8.18,-20.27,;6.66,-17.59,;6.1,-13.55,;4.77,-14.32,;6.1,-12.01,;4.76,-11.24,;3.43,-12.02,;3.43,-13.56,;2.1,-14.33,;2.11,-15.87,;.78,-16.65,;3.45,-16.64,;2.09,-11.25,;2.09,-9.71,;.75,-8.94,;-.58,-9.73,;-.57,-11.26,;.76,-12.02,;7.43,-11.23,;7.43,-9.69,)|
Structure:
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