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Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50121465
Substrate
n/a
Meas. Tech.
ChEBML_71600
Ki
28±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]  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:
Homo sapiens (Human)
Description:
P30968
Residue:
328
Sequence:
MANSASPEQNQNHCSAINNSIPLMQGNLPTLTLSGKIRVTVTFFLFLLSATFNASFLLKLQKWTQKKEKGKKLSRMKLLLKHLTLANLLETLIVMPLDGMWNITVQWYAGELLCKVLSYLKLFSMYAPAFMMVVISLDRSLAITRPLALKSNSKVGQSMVGLAWILSSVFAGPQLYIFRMIHLADSSGQTKVFSQCVTHCSFSQWWHQAFYNFFTFSCLFIIPLFIMLICNAKIIFTLTRVLHQDPHELQLNQSKNNIPRARLKTLKMTVAFATSFTVCWTPYYVLGIWYWFDPEMLNRLSDPVNHFFFLFAFLNPCFDPLIYGYFSL
  
Inhibitor
Name:
BDBM50121465
Synonyms:
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid {4-[(2-{[(S)-1-(tetrahydro-furan-2-yl)methyl]-amino}-pyrimidin-4-ylamino)-methyl]-cyclohexylmethyl}-amide | CHEMBL121535
Type:
Small organic molecule
Emp. Form.:
C38H53N5O3
Mol. Mass.:
627.8591
SMILES:
Cc1cc2c(cc1Cc1ccc(o1)C(=O)NC[C@H]1CC[C@H](CNc3ccnc(NC[C@@H]4CCCO4)n3)CC1)C(C)(C)CCC2(C)C |wU:20.22,30.31,wD:17.18,(1.39,3.28,;.04,4,;-1.33,3.28,;-2.7,4,;-2.7,5.43,;-1.34,6.15,;.03,5.44,;1.38,6.17,;2.77,5.46,;2.76,4.01,;5.48,4,;5.48,5.44,;4.13,6.17,;6.86,6.17,;6.87,7.61,;8.23,5.43,;9.59,6.14,;10.96,5.43,;10.94,3.99,;12.31,3.26,;13.68,3.99,;15.17,3.09,;16.69,3.92,;18.17,3.02,;18.17,1.58,;19.54,.86,;20.9,1.59,;20.9,3.02,;22.38,3.92,;23.92,3.09,;25.4,3.99,;26.63,2.78,;28.74,4.91,;27.49,6.12,;25.82,5.67,;19.54,3.75,;13.68,5.43,;12.31,6.14,;-4.07,6.17,;-5.43,6.88,;-2.7,6.89,;-5.41,5.43,;-5.41,3.99,;-4.07,3.28,;-2.7,2.57,;-5.43,2.57,)|
Structure:
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