Reaction Details Report a problem with these data
Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50272669
Substrate
n/a
Meas. Tech.
ChEMBL_510057 (CHEMBL995200)
Ki
98±n/a nM
Citation
 Regan, CF; Guo, Z; Chen, Y; Huang, CQ; Chen, M; Jiang, W; Rueter, JK; Coon, T; Chen, C; Saunders, J; Brown, MS; Betz, SF; Struthers, RS; Yang, C; Wen, J; Madan, A; Zhu, YF Zwitterionic uracil derivatives as potent GnRH receptor antagonists with improved pharmaceutical properties. Bioorg Med Chem Lett 18:4503-7 (2008) [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:
BDBM50272669
Synonyms:
(R)-2-((2-(3-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methyl-3-(2-(methylamino)-2-phenylethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-fluorophenoxy)ethyl)(methyl)amino)acetic acid | CHEMBL452198
Type:
Small organic molecule
Emp. Form.:
C33H33F5N4O5
Mol. Mass.:
660.6309
SMILES:
CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OCCN(C)CC(O)=O)c1F)c1ccccc1 |r,wD:2.1,(32.28,-29.82,;33.61,-29.04,;33.61,-27.5,;34.94,-26.73,;36.28,-27.49,;37.6,-26.72,;37.6,-25.18,;38.93,-27.49,;38.93,-29.03,;40.27,-29.81,;37.6,-29.8,;37.6,-31.34,;36.82,-32.67,;37.65,-33.95,;39.19,-33.87,;36.96,-35.32,;35.41,-35.4,;34.58,-34.1,;35.28,-32.73,;34.45,-31.44,;33.63,-30.13,;33.15,-32.26,;35.75,-30.61,;36.28,-29.03,;34.94,-29.81,;40.26,-26.73,;41.59,-27.51,;42.93,-26.74,;42.94,-25.2,;41.59,-24.43,;41.59,-22.89,;42.93,-22.12,;42.93,-20.58,;44.26,-19.81,;45.59,-20.58,;44.26,-18.27,;45.59,-17.5,;46.93,-18.26,;45.59,-15.95,;40.26,-25.2,;38.93,-24.43,;32.27,-26.74,;32.28,-25.2,;30.94,-24.43,;29.61,-25.21,;29.62,-26.75,;30.95,-27.51,)|
Structure:
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