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Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50121471
Substrate
n/a
Meas. Tech.
ChEBML_71600
Ki
63±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:
BDBM50121471
Synonyms:
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid {4-[(4-amino-5-cyano-pyrimidin-2-ylamino)-methyl]-cyclohexylmethyl}-amide | CHEMBL331087
Type:
Small organic molecule
Emp. Form.:
C34H44N6O2
Mol. Mass.:
568.7522
SMILES:
Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNc3ncc(C#N)c(N)n3)CC1)C(C)(C)CCC2(C)C |(-1.59,-12.61,;-2.93,-11.9,;-4.29,-12.61,;-5.65,-11.9,;-5.65,-10.47,;-4.31,-9.75,;-2.95,-10.46,;-1.59,-9.74,;-.21,-10.44,;-.23,-11.88,;2.49,-11.9,;2.49,-10.46,;1.13,-9.74,;3.85,-9.74,;3.87,-8.3,;5.21,-10.47,;6.7,-9.58,;8.21,-10.42,;9.7,-9.53,;11.2,-10.36,;11.23,-12.09,;12.74,-12.93,;14.22,-12.04,;15.64,-13.03,;17.19,-12.3,;18.6,-13.28,;18.46,-15.01,;19.88,-15.99,;21.29,-16.98,;16.9,-15.74,;16.74,-17.45,;15.49,-14.76,;9.75,-12.95,;8.25,-12.14,;-7,-9.74,;-8.37,-9.03,;-5.65,-9.02,;-8.36,-10.47,;-8.36,-11.91,;-7,-12.61,;-8.37,-13.32,;-5.65,-13.32,)|
Structure:
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