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Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50274929
Substrate
n/a
Meas. Tech.
ChEMBL_495152 (CHEMBL1008931)
IC50
27±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:
BDBM50274929
Synonyms:
(R)-4-{2-[5-(2-Fluoro-3-methoxyphenyl)-3-(2,6-difluorobenzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenylethylamino}butyric Acid | CHEMBL506877
Type:
Small organic molecule
Emp. Form.:
C31H30F3N3O5
Mol. Mass.:
581.5822
SMILES:
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](NCCCC(O)=O)c2ccccc2)c1=O |r,wD:26.28,(8.92,-11.98,;7.58,-12.75,;6.25,-11.97,;6.26,-10.43,;4.91,-9.66,;3.58,-10.43,;3.58,-11.96,;4.91,-12.74,;4.91,-14.28,;2.25,-12.72,;2.25,-14.26,;3.59,-15.04,;.92,-15.03,;.92,-16.57,;2.26,-17.34,;3.58,-16.57,;4.91,-15.79,;4.91,-17.33,;4.92,-18.88,;3.58,-19.65,;2.25,-18.88,;.91,-19.64,;-.4,-14.26,;-1.74,-15.04,;-.4,-12.72,;-1.74,-11.96,;-3.07,-12.73,;-3.07,-14.27,;-4.4,-15.05,;-4.39,-16.59,;-5.73,-17.36,;-5.72,-18.9,;-7.05,-19.67,;-4.38,-19.67,;-4.41,-11.97,;-4.41,-10.43,;-5.75,-9.66,;-7.08,-10.44,;-7.07,-11.98,;-5.74,-12.74,;.92,-11.95,;.92,-10.41,)|
Structure:
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