Reaction Details
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Gonadotropin-releasing hormone receptor
Ligand
BDBM50161508
Substrate
n/a
Meas. Tech.
ChEMBL_303063 (CHEMBL828889)
Ki
110±n/a nM
Citation
Pontillo, J; Chen, C Efficient synthesis of bicyclic oxazolino- and thiazolino[3,2-c]pyrimidine-5,7-diones and its application to the synthesis of GnRH antagonists. Bioorg Med Chem Lett 15:1407-11 (2005) [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:
BDBM50161508
Synonyms:
6-((R)-2-Amino-2-phenyl-ethyl)-8-(2-fluoro-phenyl)-3-phenyl-2,3-dihydro-thiazolo[3,2-c]pyrimidine-5,7-dione | 6-((R)-2-amino-2-phenylethyl)-8-(2-fluorophenyl)-3-phenyl-2,3-dihydro-6H-thiazolo[3,2-f]pyrimidine-5,7-dione | CHEMBL179101
Type:
Small organic molecule
Emp. Form.:
C26H22FN3O2S
Mol. Mass.:
459.535
SMILES:
N[C@@H](Cn1c(=O)c(c2SCC(c3ccccc3)n2c1=O)-c1ccccc1F)c1ccccc1 |r,wD:1.0,(-7.11,-15.38,;-7.12,-13.84,;-5.79,-13.07,;-4.45,-13.83,;-3.12,-13.06,;-3.12,-11.51,;-1.79,-13.83,;-1.79,-15.37,;-.66,-16.39,;-1.27,-17.79,;-2.79,-17.63,;-3.81,-18.77,;-5.32,-18.45,;-6.35,-19.6,;-5.87,-21.07,;-4.35,-21.38,;-3.33,-20.23,;-3.11,-16.14,;-4.45,-15.37,;-5.78,-16.15,;-.46,-13.06,;.87,-13.83,;2.2,-13.06,;2.2,-11.52,;.86,-10.75,;-.47,-11.53,;-1.81,-10.77,;-8.45,-13.08,;-8.45,-11.54,;-9.79,-10.77,;-11.12,-11.54,;-11.11,-13.09,;-9.78,-13.85,)|
Structure:
