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Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50291734
Substrate
n/a
Meas. Tech.
ChEMBL_1731439 (CHEMBL4146975)
IC50
0.580000±n/a nM
Citation
 Kim, SM; Lee, M; Lee, SY; Lee, SM; Kim, EJ; Kim, JS; Ann, J; Lee, J; Lee, J Synthesis and biological evaluation of 3-(2-aminoethyl) uracil derivatives as gonadotropin-releasing hormone (GnRH) receptor antagonists. Eur J Med Chem 145:413-424 (2018) [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:
Human
Description:
P30968
Residue:
328
Sequence:
MANSASPEQNQNHCSAINNSIPLMQGNLPTLTLSGKIRVTVTFFLFLLSATFNASFLLKLQKWTQKKEKGKKLSRMKLLLKHLTLANLLETLIVMPLDGMWNITVQWYAGELLCKVLSYLKLFSMYAPAFMMVVISLDRSLAITRPLALKSNSKVGQSMVGLAWILSSVFAGPQLYIFRMIHLADSSGQTKVFSQCVTHCSFSQWWHQAFYNFFTFSCLFIIPLFIMLICNAKIIFTLTRVLHQDPHELQLNQSKNNIPRARLKTLKMTVAFATSFTVCWTPYYVLGIWYWFDPEMLNRLSDPVNHFFFLFAFLNPCFDPLIYGYFSL
  
Inhibitor
Name:
BDBM50291734
Synonyms:
CHEMBL4159247
Type:
Small organic molecule
Emp. Form.:
C32H33F2N3O5
Mol. Mass.:
577.6183
SMILES:
COc1cccc(c1F)-c1c(C)n(Cc2c(C)cccc2F)c(=O)n(C[C@H](NCCCC(O)=O)c2ccccc2)c1=O |r,wD:26.28,(15.67,-2.45,;14.34,-3.22,;14.34,-4.76,;15.68,-5.53,;15.68,-7.07,;14.34,-7.84,;13.01,-7.06,;13.01,-5.53,;11.68,-4.76,;11.68,-7.82,;11.68,-9.36,;13.01,-10.14,;10.35,-10.13,;10.35,-11.67,;11.14,-12.98,;10.4,-14.32,;8.86,-14.35,;11.2,-15.64,;12.74,-15.61,;13.48,-14.25,;12.67,-12.94,;13.41,-11.58,;9.02,-9.36,;7.69,-10.14,;9.02,-7.82,;7.69,-7.06,;6.36,-7.83,;6.36,-9.37,;5.03,-10.15,;5.03,-11.69,;3.7,-12.46,;3.71,-14,;5.04,-14.77,;2.37,-14.77,;5.02,-7.07,;5.02,-5.53,;3.69,-4.76,;2.35,-5.54,;2.36,-7.08,;3.7,-7.84,;10.35,-7.05,;10.35,-5.51,)|
Structure:
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