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Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50162021
Substrate
n/a
Meas. Tech.
ChEMBL_302845 (CHEMBL827890)
Ki
22±n/a nM
Citation
 Tucci, FC; Zhu, YF; Struthers, RS; Guo, Z; Gross, TD; Rowbottom, MW; Acevedo, O; Gao, Y; Saunders, J; Xie, Q; Reinhart, GJ; Liu, XJ; Ling, N; Bonneville, AK; Chen, T; Bozigian, H; Chen, C 3-[(2R)-Amino-2-phenylethyl]-1-(2,6-difluorobenzyl)-5-(2-fluoro-3-methoxyphenyl)- 6-methylpyrimidin-2,4-dione (NBI 42902) as a potent and orally active antagonist of the human gonadotropin-releasing hormone receptor. Design, synthesis, and in vitro and in vivo characterization. J Med Chem 48:1169-78 (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:
BDBM50162021
Synonyms:
3-((S)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione | CHEMBL540207
Type:
Small organic molecule
Emp. Form.:
C27H24F3N3O3
Mol. Mass.:
495.493
SMILES:
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](N)c2ccccc2)c1=O |wU:26.28,(2.69,6.02,;4.03,5.23,;4.03,3.71,;5.37,2.92,;5.37,1.39,;4.03,.62,;2.69,1.39,;2.69,2.92,;1.36,3.71,;1.36,.62,;1.36,-.9,;2.69,-1.69,;.03,-1.68,;.03,-3.21,;1.36,-3.98,;2.69,-3.21,;1.34,-2.43,;4.03,-3.98,;4.03,-5.52,;2.69,-6.29,;1.36,-5.52,;.02,-6.29,;-1.28,-.9,;-2.63,-1.69,;-1.28,.62,;-2.63,1.39,;-3.96,.62,;-3.96,-.93,;-5.32,1.39,;-5.32,2.92,;-6.65,3.71,;-7.98,2.92,;-7.98,1.37,;-6.63,.62,;.03,1.42,;.03,2.96,)|
Structure:
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