Reaction Details Report a problem with these data
Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50121477
Substrate
n/a
Meas. Tech.
ChEBML_71752
Ki
235±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_RAT | GnRH receptor | GnRH-R | Gnrhr
Type:
PROTEIN
Mol. Mass.:
37767.60
Organism:
Rattus norvegicus
Description:
ChEMBL_1335047
Residue:
327
Sequence:
MANNASLEQDQNHCSAINNSIPLTQGKLPTLTLSGKIRVTVTFFLFLLSTAFNASFLVKLQRWTQKRKKGKKLSRMKVLLKHLTLANLLETLIVMPLDGMWNITVQWYAGEFLCKVLSYLKLFSMYAPAFMMVVISLDRSLAVTQPLAVQSKSKLERSMTSLAWILSIVFAGPQLYIFRMIYLADGSGPAVFSQCVTHCSFPQWWHEAFYNFFTFSCLFIIPLLIMLICNAKIIFALTRVLHQDPRKLQLNQSKNNIPRARLRTLKMTVAFGTSFVICWTPYYVLGIWYWFDPEMLNRVSEPVNHFFFLFAFLNPCFDPLIYGYFSL
  
Inhibitor
Name:
BDBM50121477
Synonyms:
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid {4-[(2-{[(R)-1-(tetrahydro-furan-2-yl)methyl]-amino}-pyrimidin-4-ylamino)-methyl]-cyclohexylmethyl}-amide | CHEMBL331204
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,wD:30.31,17.18,(.22,-7.48,;-1.11,-6.77,;-2.46,-7.48,;-3.82,-6.77,;-3.82,-5.34,;-2.48,-4.64,;-1.13,-5.34,;.22,-4.63,;1.58,-5.34,;1.56,-6.77,;4.25,-6.77,;4.25,-5.34,;2.91,-4.62,;5.6,-4.64,;5.62,-3.22,;6.95,-5.36,;8.42,-4.48,;9.92,-5.31,;9.92,-7.02,;11.42,-7.84,;12.89,-6.97,;14.38,-7.8,;15.85,-6.94,;17.33,-6.07,;17.3,-4.38,;18.78,-3.5,;20.27,-4.35,;20.28,-6.06,;21.76,-6.9,;23.23,-6.04,;24.73,-6.89,;24.73,-8.6,;27.69,-8.58,;27.68,-6.87,;26.18,-6.02,;18.81,-6.92,;12.87,-5.26,;11.37,-4.41,;-5.14,-4.64,;-6.52,-3.92,;-3.82,-3.92,;-6.49,-5.34,;-6.49,-6.77,;-5.14,-7.47,;-6.52,-8.16,;-3.82,-8.19,)|
Structure:
Search PDB for entries with ligand similarity: