Reaction Details Report a problem with these data
Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50022913
Substrate
n/a
Meas. Tech.
ChEBML_71742
Kd
0.640000±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:
BDBM50022913
Synonyms:
Ac-DNal-DFpa-DTrp-Ser-Tyr-DArg-Leu-Arg-Pro-Gly-NH2 | CHEMBL441741
Type:
Small organic molecule
Emp. Form.:
C72H93FN18O13
Mol. Mass.:
1437.62
SMILES:
CC(C)C[C@H](NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O |wU:31.34,19.28,4.4,82.87,96.103,wD:37.50,51.63,8.15,63.80,(18.89,-16.23,;17.36,-16.48,;17.11,-18,;16.26,-15.38,;16.65,-13.86,;18.17,-13.47,;19.27,-12.46,;17.75,-11.3,;20.15,-13.44,;19.89,-14.7,;20.76,-15.67,;20.12,-16.81,;21.09,-17.68,;19.99,-18.92,;18.66,-18.75,;20.44,-20.11,;21.38,-12.89,;22.58,-12.37,;23.68,-13.03,;22.84,-11.02,;24.1,-10.59,;24.1,-9.23,;22.93,-8.55,;22.93,-7.22,;24.1,-6.54,;24.1,-5.19,;25.26,-7.22,;25.26,-8.56,;21.61,-10.33,;20.44,-9.65,;19.27,-10.33,;20.44,-8.29,;21.64,-7.62,;21.64,-6.28,;19.27,-7.62,;18.21,-6.8,;16.91,-7.22,;18.59,-5.44,;19.99,-5.12,;20.15,-3.69,;19.08,-2.75,;19.66,-1.46,;21.06,-1.59,;22.09,-.65,;23.45,-1.07,;23.74,-2.46,;22.71,-3.4,;21.35,-2.98,;17.43,-4.56,;16.26,-3.73,;14.81,-4.24,;16.68,-2.23,;18.21,-1.82,;18.37,-.27,;19.76,.39,;19.92,1.94,;18.63,2.85,;18.76,4.4,;17.2,2.19,;17.07,.64,;15.42,-1.33,;14.16,-.4,;14.16,1.13,;12.7,-.95,;11.41,-.06,;11.5,1.49,;12.92,2.17,;13.03,3.72,;11.73,4.6,;11.83,6.15,;10.53,7.01,;9.14,6.33,;9.04,4.78,;10.33,3.91,;10.21,2.35,;12.67,-2.46,;11.31,-3.24,;11.31,-4.79,;9.98,-2.43,;15.55,-12.76,;15.97,-11.25,;14.06,-13.14,;12.51,-13.54,;11.93,-14.99,;12.77,-16.3,;11.83,-17.52,;12.41,-18.94,;11.28,-19.98,;9.76,-19.5,;11.57,-21.44,;11.67,-12.25,;12.25,-10.81,;10.18,-12.59,;9.56,-14,;8.01,-13.84,;7.68,-12.38,;9.01,-11.6,;9.14,-10.07,;10.57,-9.43,;7.88,-9.14,;6.52,-8.16,;6.94,-6.67,;5.68,-5.77,;8.43,-6.16,)|
Structure:
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