Reaction Details
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Gonadotropin-releasing hormone receptor
Ligand
BDBM50180786
Substrate
n/a
Meas. Tech.
ChEMBL_327273 (CHEMBL865167)
IC50
8.2±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:
BDBM50180786
Synonyms:
CHEMBL436874 | pGlu-His-Trp-Ser-His-D-Tyr-Leu-Arg-Pro-Gly-NH2
Type:
Small organic molecule
Emp. Form.:
C55H76N16O15
Mol. Mass.:
1201.2901
SMILES:
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)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:54.58,30.43,12.21,4.4,wD:44.54,24.27,64.67,78.83,(20.78,-2.99,;20.78,-4.53,;22.11,-5.3,;19.45,-5.3,;19.45,-6.85,;18.11,-7.62,;16.78,-6.85,;16.78,-5.31,;15.44,-7.63,;14.11,-6.85,;12.78,-7.62,;12.78,-9.17,;11.45,-6.86,;11.45,-5.31,;12.78,-4.54,;14.1,-5.31,;15.44,-4.54,;15.43,-3,;16.77,-2.23,;14.1,-2.23,;12.77,-3,;10.11,-7.63,;8.77,-6.86,;8.77,-5.31,;7.44,-7.63,;7.44,-9.17,;8.77,-9.94,;6.12,-6.86,;4.77,-7.63,;4.77,-9.17,;3.44,-6.86,;3.44,-5.32,;4.77,-4.55,;6.17,-5.17,;7.2,-4.03,;6.43,-2.7,;6.91,-1.24,;5.87,-.1,;4.37,-.41,;3.9,-1.88,;4.94,-3.02,;2.11,-7.64,;.77,-6.87,;.77,-5.32,;-.56,-7.64,;-.56,-9.18,;.78,-9.95,;2.18,-9.32,;3.22,-10.46,;2.44,-11.79,;.95,-11.47,;-1.89,-6.87,;-3.23,-7.64,;-3.23,-9.18,;-4.57,-6.87,;-5.9,-7.64,;-4.57,-5.33,;-3.24,-4.57,;-3.24,-3.02,;-4.57,-2.25,;-1.89,-2.25,;20.78,-7.61,;20.78,-9.15,;22.12,-6.84,;23.44,-7.61,;23.44,-9.14,;22.12,-9.92,;22.12,-11.46,;20.79,-12.23,;19.46,-11.46,;19.46,-9.92,;18.12,-12.23,;24.78,-6.84,;24.78,-5.3,;26.12,-7.6,;26.43,-9.25,;28.08,-9.48,;28.81,-7.98,;27.53,-7.1,;27.73,-5.57,;26.5,-4.64,;29.15,-4.98,;30.38,-5.91,;31.8,-5.32,;33.03,-6.25,;32,-3.79,)|
Structure:
