Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50022917

Substrate

n/a

Meas. Tech.

ChEBML_71742

6±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

More Info.:

Get all data from this article, Assay Method

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:

BDBM50022917

Synonyms:

Ac-DNal-DFpa-DTrp-[Cys-Tyr-DArg-Leu-Arg-Pro-Cys]-NH2 | CHEMBL2371277

Type:

Small organic molecule

Emp. Form.:

C71H91FN18O11S2

Mol. Mass.:

1455.725

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](CSSC[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:79.93,55.61,19.20,91.97,8.9,27.28,wD:50.64,65.80,38.39,1.0,(2.69,9.22,;1.76,10.83,;3.27,11.15,;3.43,12.69,;2.02,13.31,;.99,12.17,;-.52,11.85,;-.73,10.32,;-2.01,12.63,;-2.05,14.17,;-3.4,14.91,;-3.43,16.45,;-4.78,17.19,;-4.81,18.73,;-6.16,19.47,;-3.5,19.53,;-3.35,11.86,;-3.35,10.32,;-2.01,9.55,;-4.68,9.55,;-6.01,10.32,;-6.01,11.86,;-7.35,12.63,;-4.68,12.63,;-4.68,8.01,;-6.01,7.24,;-7.35,8.01,;-6.01,5.7,;-7.35,6.47,;-8.68,5.7,;-8.68,4.16,;-10.01,3.39,;-11.35,4.16,;-12.68,3.39,;-11.35,5.7,;-7.35,4.93,;-7.35,3.39,;-8.68,2.62,;-6.01,2.62,;-7.35,1.85,;-7.35,.31,;-6.01,-.46,;-6.01,-2,;-7.35,-2.77,;-7.35,-4.31,;-8.68,-2,;-8.68,-.46,;-6.01,1.08,;-4.68,.31,;-4.68,-1.23,;-3.35,1.08,;-3.35,2.62,;-2.01,3.39,;-2.01,4.93,;-.68,5.7,;-.68,7.24,;.66,8.01,;.73,9.69,;-.81,9.8,;.66,6.47,;1.99,7.24,;.66,4.93,;-2.01,.31,;-.68,1.08,;-.68,2.62,;.66,.31,;.66,-1.23,;-.68,-2,;-2.09,-1.38,;-3.12,-2.52,;-2.35,-3.86,;-2.82,-5.32,;-1.79,-6.46,;-.28,-6.14,;.19,-4.68,;-.84,-3.54,;1.99,1.08,;3.32,.31,;3.32,-1.23,;4.66,1.08,;4.66,2.62,;5.99,3.39,;5.99,4.93,;7.32,5.7,;8.66,4.93,;9.99,5.7,;8.66,3.39,;7.32,2.62,;5.99,.31,;7.32,1.08,;8.23,2.32,;8.66,.31,;8.66,-1.23,;9.99,1.08,;11.32,.31,;11.32,-1.23,;12.66,-2,;13.99,-1.23,;15.33,-2,;16.66,-1.23,;16.66,.31,;15.33,1.08,;13.99,.31,;12.66,1.08,)|

Structure: