Reaction Details Report a problem with these data
Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50121479
Substrate
n/a
Meas. Tech.
ChEBML_71600
Ki
74±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:
BDBM50121479
Synonyms:
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid [3-({4-[(tetrahydro-furan-2-ylmethyl)-amino]-pyrimidin-2-ylamino}-methyl)-cyclohexylmethyl]-amide | CHEMBL120420
Type:
Small organic molecule
Emp. Form.:
C38H53N5O3
Mol. Mass.:
627.8591
SMILES:
Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNc3nccc(NCC4CCCO4)n3)CC1)C(C)(C)CCC2(C)C |(-3.76,-4.21,;-5.12,-3.49,;-6.47,-4.21,;-7.83,-3.49,;-7.83,-2.07,;-6.47,-1.34,;-5.12,-2.05,;-3.76,-1.33,;-2.4,-2.05,;-2.4,-3.49,;.31,-3.49,;.31,-2.05,;-1.04,-1.33,;1.68,-1.34,;1.68,.1,;3.04,-2.07,;4.52,-1.18,;6.02,-2.01,;6.47,-3.67,;8.11,-4.11,;9.34,-2.9,;11.02,-3.36,;12.51,-2.48,;13.86,-1.76,;13.86,-.32,;15.22,.38,;16.58,-.32,;16.58,-1.76,;18.05,-2.65,;19.56,-1.83,;21.05,-2.72,;21.05,-4.43,;22.54,-5.29,;24.03,-2.72,;22.54,-1.86,;15.22,-2.48,;8.9,-1.24,;7.22,-.79,;-9.19,-1.34,;-10.55,-.63,;-7.83,-.61,;-10.53,-2.07,;-10.53,-3.5,;-9.19,-4.21,;-7.83,-4.92,;-10.55,-4.91,)|
Structure:
Search PDB for entries with ligand similarity: