Reaction Details Report a problem with these data
Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50260713
Substrate
n/a
Meas. Tech.
ChEMBL_552282 (CHEMBL995612)
Ki
77±n/a nM
Citation
Chen, C; Chen, Y; Pontillo, J; Guo, Z; Huang, CQ; Wu, D; Madan, A; Chen, T; Wen, J; Xie, Q; Tucci, FC; Rowbottom, M; Zhu, YF; Wade, W; Saunders, J; Bozigian, H; Struthers, RS Potent and orally bioavailable zwitterion GnRH antagonists with low CYP3A4 inhibitory activity. Bioorg Med Chem Lett 18:3301-5 (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:
Homo sapiens (Human)
Description:
P30968
Residue:
328
Sequence:
MANSASPEQNQNHCSAINNSIPLMQGNLPTLTLSGKIRVTVTFFLFLLSATFNASFLLKLQKWTQKKEKGKKLSRMKLLLKHLTLANLLETLIVMPLDGMWNITVQWYAGELLCKVLSYLKLFSMYAPAFMMVVISLDRSLAITRPLALKSNSKVGQSMVGLAWILSSVFAGPQLYIFRMIHLADSSGQTKVFSQCVTHCSFSQWWHQAFYNFFTFSCLFIIPLFIMLICNAKIIFTLTRVLHQDPHELQLNQSKNNIPRARLKTLKMTVAFATSFTVCWTPYYVLGIWYWFDPEMLNRLSDPVNHFFFLFAFLNPCFDPLIYGYFSL
Inhibitor
Name:
BDBM50260713
Synonyms:
(R)-4-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-amino-2-phenylethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzyl 2-aminoacetate | CHEMBL499307
Type:
Small organic molecule
Emp. Form.:
C29H26F4N4O4
Mol. Mass.:
570.5348
SMILES:
NCC(=O)OCc1ccc(cc1)-c1cn(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](N)c2ccccc2)c1=O |r|