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Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50168700
Substrate
n/a
Meas. Tech.
ChEMBL_303748 (CHEMBL829791)
Ki
3±n/a nM
Citation
 Guo, Z; Wu, D; Zhu, YF; Tucci, FC; Regan, CF; Rowbottom, MW; Struthers, RS; Xie, Q; Reijmers, S; Sullivan, SK; Sai, Y; Chen, C Structure-activity relationships of 1,3,5-triazine-2,4,6-triones as human gonadotropin-releasing hormone receptor antagonists. Bioorg Med Chem Lett 15:3685-90 (2005) [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:
BDBM50168700
Synonyms:
1-((R)-2-Amino-2-phenyl-ethyl)-3-(2-fluoro-3-methoxy-phenyl)-5-(2-fluoro-6-trifluoromethyl-benzyl)-[1,3,5]triazinane-2,4,6-trione | CHEMBL175711
Type:
Small organic molecule
Emp. Form.:
C26H21F5N4O4
Mol. Mass.:
548.4614
SMILES:
COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2c(F)cccc2C(F)(F)F)c1=O |wD:14.15,(8.68,1.49,;7.35,.72,;7.36,-.82,;8.7,-1.59,;8.7,-3.13,;7.37,-3.9,;6.04,-3.13,;6.03,-1.61,;4.7,-.85,;4.71,-3.92,;3.37,-3.15,;3.37,-1.61,;2.04,-3.92,;.71,-3.15,;-.62,-3.93,;-1.4,-5.26,;-1.96,-3.16,;-1.96,-1.61,;-3.31,-.84,;-4.64,-1.61,;-4.64,-3.16,;-3.31,-3.93,;2.04,-5.46,;.71,-6.23,;3.38,-6.23,;3.38,-7.77,;4.72,-8.54,;6.04,-7.75,;7.12,-6.66,;7.37,-8.52,;7.38,-10.06,;6.05,-10.83,;4.71,-10.08,;3.38,-10.85,;2.04,-10.06,;3.37,-12.39,;2.29,-11.93,;4.71,-5.46,;6.05,-6.21,)|
Structure:
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