Reaction Details Report a problem with these data
Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50377900
Substrate
n/a
Meas. Tech.
ChEMBL_480123 (CHEMBL923765)
Ki
0.61±n/a nM
Citation
 Zhao, L; Guo, Z; Chen, Y; Hu, T; Wu, D; Zhu, YF; Rowbottom, M; Gross, TD; Tucci, FC; Struthers, RS; Xie, Q; Chen, C 5-Aryluracils as potent GnRH antagonists-Characterization of atropisomers. Bioorg Med Chem Lett 18:3344-9 (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:
BDBM50377900
Synonyms:
CHEMBL259906
Type:
Small organic molecule
Emp. Form.:
C28H30F5N3O3
Mol. Mass.:
551.5481
SMILES:
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](C)NC2CCCC2)c1=O |wD:29.31,(1.43,-22.95,;.1,-23.72,;.1,-25.26,;1.44,-26.03,;1.44,-27.57,;.11,-28.34,;-1.22,-27.56,;-1.23,-26.03,;-2.56,-25.26,;-2.55,-28.33,;-2.56,-29.87,;-1.22,-30.64,;-3.89,-30.64,;-3.9,-32.18,;-4.72,-33.49,;-6.25,-33.44,;-6.99,-32.09,;-7.06,-34.76,;-6.32,-36.11,;-4.77,-36.15,;-3.98,-34.83,;-2.44,-34.86,;-.9,-34.86,;-2.45,-36.4,;-2.42,-33.32,;-5.22,-29.87,;-6.56,-30.64,;-5.22,-28.32,;-6.55,-27.56,;-7.88,-28.33,;-7.88,-29.87,;-9.22,-27.56,;-9.22,-26.02,;-7.97,-25.11,;-8.45,-23.64,;-9.99,-23.65,;-10.47,-25.11,;-3.89,-27.55,;-3.89,-26.01,)|
Structure:
Search PDB for entries with ligand similarity: