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Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50162040
Substrate
n/a
Meas. Tech.
ChEMBL_302845 (CHEMBL827890)
Ki
20±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:
BDBM50162040
Synonyms:
(R)-1-(2-fluorobenzyl)-3-(2-amino-2-phenylethyl)-5-(2-fluorophenyl)-6-methylpyrimidine-2,4(1H,3H)-dione | 3-((R)-2-Amino-2-phenyl-ethyl)-1-(2-fluoro-benzyl)-5-(2-fluoro-phenyl)-6-methyl-1H-pyrimidine-2,4-dione | CHEMBL361798
Type:
Small organic molecule
Emp. Form.:
C26H23F2N3O2
Mol. Mass.:
447.4765
SMILES:
Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccc1F |r,wD:14.15,(-.33,-43.25,;-1.67,-42.48,;-1.67,-40.94,;-.33,-40.17,;1,-40.94,;2.33,-40.17,;2.33,-38.63,;.98,-37.86,;-.34,-38.63,;-1.68,-37.87,;-3,-40.16,;-3,-38.62,;-4.32,-40.94,;-5.66,-40.17,;-6.99,-40.95,;-6.99,-42.49,;-8.32,-40.18,;-8.33,-38.64,;-9.66,-37.87,;-10.99,-38.65,;-10.98,-40.2,;-9.65,-40.96,;-4.32,-42.48,;-5.66,-43.25,;-3,-43.24,;-3,-44.78,;-1.66,-45.55,;-1.67,-47.09,;-.34,-47.86,;1,-47.09,;.99,-45.54,;-.34,-44.78,;-1.68,-44.01,)|
Structure:
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