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Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50121486
Substrate
n/a
Meas. Tech.
ChEBML_71752
Ki
2140.0±n/a nM
Citation
 Luthin, DR; Hong, Y; Tompkins, E; Anderes, KL; Paderes, G; Kraynov, EA; Castro, MA; Nared-Hood, KD; Castillo, R; Gregory, M; Vazir, H; May, JM; Anderson, MB Characterization of mono- and diaminopyrimidine derivatives as novel, nonpeptide gonadotropin releasing hormone (GnRH) receptor antagonists. Bioorg Med Chem Lett 12:3635-9 (2002) [PubMed]
Target
Name:
Gonadotropin-releasing hormone receptor
Synonyms:
GNRHR_RAT | GnRH receptor | GnRH-R | Gnrhr
Type:
PROTEIN
Mol. Mass.:
37767.60
Organism:
Rattus norvegicus
Description:
ChEMBL_1335047
Residue:
327
Sequence:
MANNASLEQDQNHCSAINNSIPLTQGKLPTLTLSGKIRVTVTFFLFLLSTAFNASFLVKLQRWTQKRKKGKKLSRMKVLLKHLTLANLLETLIVMPLDGMWNITVQWYAGEFLCKVLSYLKLFSMYAPAFMMVVISLDRSLAVTQPLAVQSKSKLERSMTSLAWILSIVFAGPQLYIFRMIYLADGSGPAVFSQCVTHCSFPQWWHEAFYNFFTFSCLFIIPLLIMLICNAKIIFALTRVLHQDPRKLQLNQSKNNIPRARLRTLKMTVAFGTSFVICWTPYYVLGIWYWFDPEMLNRVSEPVNHFFFLFAFLNPCFDPLIYGYFSL
  
Inhibitor
Name:
BDBM50121486
Synonyms:
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid {4-[(2-chloro-pyrimidin-4-ylamino)-methyl]-cyclohexylmethyl}-amide | CHEMBL121576
Type:
Small organic molecule
Emp. Form.:
C33H43ClN4O2
Mol. Mass.:
563.173
SMILES:
Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNc3ccnc(Cl)n3)CC1)C(C)(C)CCC2(C)C |(-2.48,-15.18,;-3.84,-14.47,;-5.21,-15.18,;-6.57,-14.47,;-6.57,-13.03,;-5.21,-12.32,;-3.84,-13.03,;-2.49,-12.3,;-1.12,-13.02,;-1.12,-14.46,;1.6,-14.47,;1.6,-13.03,;.24,-12.3,;2.97,-12.32,;2.97,-10.87,;4.33,-13.03,;5.82,-12.14,;7.32,-12.98,;7.35,-14.71,;8.84,-15.55,;10.33,-14.67,;11.84,-15.52,;13.34,-14.63,;14.84,-15.47,;16.33,-14.58,;17.83,-15.42,;17.85,-17.16,;16.36,-18.06,;16.39,-19.78,;14.86,-17.2,;10.31,-12.95,;8.8,-12.09,;-7.91,-12.32,;-6.57,-11.59,;-9.29,-11.59,;-9.27,-13.03,;-9.27,-14.47,;-7.91,-15.18,;-9.29,-15.89,;-6.57,-15.91,)|
Structure:
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