Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50274930

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_495151 (CHEMBL1008930)

0.9±n/a nM

Citation

Chen, C; Wu, D; Guo, Z; Xie, Q; Reinhart, GJ; Madan, A; Wen, J; Chen, T; Huang, CQ; Chen, M; Chen, Y; Tucci, FC; Rowbottom, M; Pontillo, J; Zhu, YF; Wade, W; Saunders, J; Bozigian, H; Struthers, RS Discovery of sodium R-(+)-4-{2-[5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-[trifluoromethyl]benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenylethylamino}butyrate (elagolix), a potent and orally available nonpeptide antagonist of the human gonadotropin-releasing hormone receptor. J Med Chem51:7478-85 (2009) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Gonadotropin-releasing hormone receptor

Name:

Gonadotropin-releasing hormone receptor

Synonyms:

Type:

Enzyme

Mol. Mass.:

37749.45

Organism:

Homo sapiens (Human)

Description:

P30968

Residue:

328

Sequence:

MANSASPEQNQNHCSAINNSIPLMQGNLPTLTLSGKIRVTVTFFLFLLSATFNASFLLKL
QKWTQKKEKGKKLSRMKLLLKHLTLANLLETLIVMPLDGMWNITVQWYAGELLCKVLSYL
KLFSMYAPAFMMVVISLDRSLAITRPLALKSNSKVGQSMVGLAWILSSVFAGPQLYIFRM
IHLADSSGQTKVFSQCVTHCSFSQWWHQAFYNFFTFSCLFIIPLFIMLICNAKIIFTLTR
VLHQDPHELQLNQSKNNIPRARLKTLKMTVAFATSFTVCWTPYYVLGIWYWFDPEMLNRL
SDPVNHFFFLFAFLNPCFDPLIYGYFSL

BDBM50274930

n/a

Name

BDBM50274930

Synonyms:

(R)-4-{2-[5-(2-Fluoro-3-methoxyphenyl)-3-(2-fluoro-6-[trifluoromethyl]benzyl)-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenylethylamino}butyric Acid Sodium Salt | CHEMBL502182

Type

Small organic molecule

Emp. Form.

C32H29F5N3O5

Mol. Mass.

630.5823

SMILES

COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](NCCCC([O-])=O)c2ccccc2)c1=O |r,wD:29.31,(30.28,-13.89,;28.95,-14.65,;27.62,-13.88,;27.62,-12.34,;26.28,-11.56,;24.95,-12.33,;24.95,-13.87,;26.28,-14.64,;26.27,-16.18,;23.62,-14.63,;23.62,-16.17,;24.95,-16.94,;22.29,-16.93,;22.29,-18.47,;23.62,-19.24,;24.95,-18.47,;26.27,-17.69,;26.28,-19.24,;26.28,-20.78,;24.95,-21.55,;23.62,-20.78,;22.28,-21.55,;20.94,-22.31,;23.04,-22.89,;21.52,-20.21,;20.96,-16.17,;19.63,-16.94,;20.96,-14.63,;19.63,-13.86,;18.29,-14.64,;18.3,-16.18,;16.97,-16.95,;16.97,-18.49,;15.64,-19.27,;15.64,-20.81,;14.31,-21.58,;16.98,-21.57,;16.96,-13.87,;16.95,-12.33,;15.62,-11.57,;14.28,-12.35,;14.29,-13.88,;15.63,-14.64,;22.29,-13.85,;22.29,-12.31,)|

Structure