Reaction Details Report a problem with these data
Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50272662
Substrate
n/a
Meas. Tech.
ChEMBL_510058 (CHEMBL995201)
Ki
1.2±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
More Info.:
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:
Human
Description:
P30968
Residue:
328
Sequence:
MANSASPEQNQNHCSAINNSIPLMQGNLPTLTLSGKIRVTVTFFLFLLSATFNASFLLKLQKWTQKKEKGKKLSRMKLLLKHLTLANLLETLIVMPLDGMWNITVQWYAGELLCKVLSYLKLFSMYAPAFMMVVISLDRSLAITRPLALKSNSKVGQSMVGLAWILSSVFAGPQLYIFRMIHLADSSGQTKVFSQCVTHCSFSQWWHQAFYNFFTFSCLFIIPLFIMLICNAKIIFTLTRVLHQDPHELQLNQSKNNIPRARLKTLKMTVAFATSFTVCWTPYYVLGIWYWFDPEMLNRLSDPVNHFFFLFAFLNPCFDPLIYGYFSL
Inhibitor
Name:
BDBM50272662
Synonyms:
(R)-5-(3-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-amino-2-phenylethyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-fluorophenoxy)pentanoic acid | CHEMBL454774
Type:
Small organic molecule
Emp. Form.:
C32H30F5N3O5
Mol. Mass.:
631.5897
SMILES:
Cc1c(-c2cccc(OCCCCC(O)=O)c2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F |r,wD:22.23,(32.43,-44.71,;31.09,-43.94,;31.09,-42.4,;32.42,-41.63,;33.75,-42.41,;35.09,-41.65,;35.1,-40.11,;33.75,-39.33,;33.75,-37.79,;35.09,-37.02,;35.09,-35.48,;36.42,-34.71,;36.42,-33.17,;37.75,-32.4,;39.09,-33.17,;37.75,-30.86,;32.42,-40.1,;31.09,-39.33,;29.76,-41.62,;29.76,-40.08,;28.44,-42.4,;27.1,-41.63,;25.77,-42.4,;25.77,-43.94,;24.43,-41.64,;24.44,-40.1,;23.1,-39.33,;21.77,-40.11,;21.78,-41.66,;23.11,-42.42,;28.44,-43.94,;27.1,-44.71,;29.76,-44.7,;29.76,-46.24,;28.98,-47.57,;29.81,-48.85,;31.35,-48.77,;29.12,-50.22,;27.57,-50.3,;26.74,-49.01,;27.44,-47.64,;26.61,-46.34,;25.79,-45.04,;25.31,-47.17,;27.91,-45.51,)|