Reaction Details Report a problem with these data
Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50274926
Substrate
n/a
Meas. Tech.
ChEMBL_495151 (CHEMBL1008930)
Ki
4.2±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:
BDBM50274926
Synonyms:
CHEMBL510285 | Methyl (R)-4-{2-[5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-[trifluoromethyl]benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2Hpyrimidin-1-yl]-1-phenylethylamino}butyrate
Type:
Small organic molecule
Emp. Form.:
C33H32F5N3O5
Mol. Mass.:
645.6163
SMILES:
COC(=O)CCCN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OC)c1F)c1ccccc1 |r,wD:8.7,(-4.95,-18.43,;-3.61,-19.19,;-2.28,-18.42,;-.95,-19.18,;-2.29,-16.88,;-.96,-16.1,;-.96,-14.56,;.37,-13.79,;.37,-12.25,;1.7,-11.48,;3.03,-12.24,;4.36,-11.46,;4.36,-9.92,;5.69,-12.24,;5.69,-13.78,;7.02,-14.55,;4.36,-14.54,;4.36,-16.08,;5.7,-16.85,;7.02,-16.09,;8.35,-15.31,;8.35,-16.85,;8.36,-18.4,;7.02,-19.17,;5.69,-18.4,;4.35,-19.16,;3.01,-19.92,;5.11,-20.5,;3.59,-17.82,;3.03,-13.78,;1.7,-14.55,;7.02,-11.48,;7.02,-9.95,;8.35,-9.18,;9.69,-9.95,;9.69,-11.49,;11.02,-12.27,;12.35,-11.5,;8.35,-12.26,;8.35,-13.8,;-.97,-11.48,;-.97,-9.95,;-2.31,-9.18,;-3.65,-9.96,;-3.64,-11.5,;-2.3,-12.25,)|
Structure:
Search PDB for entries with ligand similarity: