Reaction Details
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Report a problem with these dataTarget
Gonadotropin-releasing hormone receptor
Ligand
BDBM50180788
Substrate
n/a
Meas. Tech.
ChEMBL_327282 (CHEMBL865176)
IC50
3.2±n/a nM
Citation
Betz, SF; Reinhart, GJ; Lio, FM; Chen, C; Struthers, RS Overlapping, nonidentical binding sites of different classes of nonpeptide antagonists for the human gonadotropin-releasing hormone receptor. J Med Chem 49:637-47 (2006) [PubMed] Article More Info.:
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:
BDBM50180788
Synonyms:
CHEMBL265775 | pGlu-His-Trp-Ser-Tyr-Gly-Leu-Arg-Pro-Gly-NH2
Type:
Small organic molecule
Emp. Form.:
C59H80N18O15
Mol. Mass.:
1281.3781
SMILES:
CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(O)=O |wU:60.65,36.50,20.28,8.17,4.4,84.90,wD:50.61,30.34,70.74,(19.39,.66,;19.39,-.89,;20.72,-1.65,;18.05,-1.65,;18.05,-3.2,;16.72,-3.97,;15.39,-3.2,;15.39,-1.66,;14.05,-3.97,;14.05,-5.51,;15.39,-6.28,;16.72,-5.5,;18.06,-6.27,;18.06,-7.81,;19.39,-8.58,;16.73,-8.58,;15.4,-7.82,;12.73,-3.2,;11.39,-3.97,;11.39,-5.51,;10.07,-3.21,;10.07,-1.66,;11.39,-.9,;12.8,-1.52,;13.82,-.37,;13.06,.96,;11.55,.64,;8.74,-3.98,;7.4,-3.21,;7.4,-1.67,;6.07,-3.98,;6.07,-5.52,;7.4,-6.29,;4.73,-3.21,;3.4,-3.98,;3.4,-5.52,;2.06,-3.21,;2.06,-1.67,;3.4,-.9,;4.8,-1.53,;5.84,-.38,;5.05,.95,;5.54,2.42,;4.5,3.56,;2.99,3.24,;2.53,1.77,;3.55,.63,;.73,-3.99,;-.59,-3.22,;-.59,-1.68,;-1.94,-3.99,;-1.94,-5.53,;-.59,-6.3,;.81,-5.67,;1.84,-6.81,;1.07,-8.14,;-.43,-7.83,;-3.26,-3.22,;-4.6,-3.99,;-4.6,-5.53,;-5.93,-3.22,;-7.26,-3.99,;-5.93,-1.69,;-4.59,-.92,;-4.59,.62,;-5.94,1.4,;-3.27,1.39,;19.39,-3.97,;19.39,-5.5,;20.72,-3.19,;22.05,-3.96,;22.05,-5.49,;23.39,-6.27,;23.39,-7.8,;24.73,-8.57,;24.73,-10.11,;23.39,-10.88,;26.06,-10.88,;23.39,-3.19,;24.72,-3.95,;23.39,-1.64,;22.11,-.56,;22.74,1,;24.41,.88,;24.53,-.67,;25.95,-1.26,;26.16,-2.79,;27.23,-.4,;28.61,-1.07,;29.88,-.21,;31.27,-.89,;29.78,1.32,)|
Structure:
