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Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50022925
Substrate
n/a
Meas. Tech.
ChEBML_71742
Kd
41±n/a nM
Citation
 Rivier, J; Kupryszewski, G; Varga, J; Porter, J; Rivier, C; Perrin, M; Hagler, A; Struthers, S; Corrigan, A; Vale, W Design of potent cyclic gonadotropin releasing hormone antagonists. J Med Chem 31:677-82 (1988) [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:
BDBM50022925
Synonyms:
Ac-DNal-DFpa-DTrp-[Asp-Tyr-DArg-Leu-Arg-Pro-Orn]-NH2 | CHEMBL2371273
Type:
Small organic molecule
Emp. Form.:
C74H96FN19O12
Mol. Mass.:
1462.6725
SMILES:
[H][C@@]12CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)NCCC[C@H](NC2=O)C(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](N)Cc1ccc2ccccc2c1 |wU:50.67,82.96,58.64,38.39,19.20,94.100,8.9,27.28,wD:68.83,1.0,(-14.63,-.58,;-16.5,-.58,;-16.02,.89,;-17.27,1.79,;-18.52,.89,;-18.04,-.58,;-18.52,-2.04,;-17.3,-2.99,;-19.94,-2.95,;-21.29,-2.21,;-22.6,-3.01,;-23.95,-2.27,;-25.27,-3.06,;-26.62,-2.32,;-27.94,-3.12,;-26.65,-.78,;-19.94,-4.49,;-18.6,-5.26,;-17.27,-4.49,;-18.6,-6.8,;-19.94,-7.57,;-21.27,-6.8,;-22.6,-7.57,;-21.27,-5.26,;-17.27,-7.57,;-17.27,-9.11,;-18.6,-9.88,;-15.94,-9.88,;-17.44,-10.2,;-17.92,-11.66,;-16.89,-12.81,;-17.36,-14.27,;-18.87,-14.59,;-19.35,-16.06,;-19.9,-13.45,;-15.94,-11.42,;-14.6,-12.19,;-13.27,-11.42,;-14.6,-13.73,;-15.94,-14.5,;-15.94,-16.04,;-14.6,-16.81,;-14.6,-18.35,;-15.94,-19.12,;-15.94,-20.66,;-17.27,-18.35,;-17.27,-16.81,;-13.27,-14.5,;-11.94,-13.73,;-10.6,-14.5,;-11.94,-12.19,;-10.6,-11.42,;-10.6,-9.88,;-9.27,-9.11,;-11.94,-9.11,;-11.94,-7.57,;-13.27,-6.8,;-13.27,-5.26,;-14.6,-4.49,;-14.6,-2.95,;-16.02,-2.04,;-16.89,-3.32,;-13.27,-3.72,;-13.27,-2.18,;-11.94,-4.49,;-10.6,-12.96,;-9.27,-12.19,;-9.27,-10.65,;-7.93,-12.96,;-7.93,-14.5,;-6.6,-15.27,;-5.19,-14.64,;-4.16,-15.79,;-4.93,-17.12,;-4.46,-18.59,;-5.49,-19.73,;-6.99,-19.41,;-7.47,-17.95,;-6.44,-16.8,;-6.6,-12.19,;-5.27,-12.96,;-4.36,-14.2,;-3.93,-12.19,;-3.93,-10.65,;-5.27,-9.88,;-6.6,-10.65,;-7.93,-9.88,;-7.93,-8.34,;-9.27,-7.57,;-6.6,-7.57,;-5.27,-8.34,;-2.6,-12.96,;-1.27,-12.19,;-1.27,-10.65,;.07,-12.96,;.07,-14.5,;1.4,-12.19,;2.74,-12.96,;2.74,-14.5,;4.07,-15.27,;5.4,-14.5,;6.74,-15.27,;8.07,-14.5,;8.07,-12.96,;6.74,-12.19,;5.4,-12.96,;4.07,-12.19,)|
Structure:
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