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TargetGonadotropin-releasing hormone receptor
LigandBDBM50162023
Substrate/Competitorn/a
Meas. Tech.ChEMBL_302845 (CHEMBL827890)
Ki 3.1±n/a nM
Citation Tucci, FCZhu, YFStruthers, RSGuo, ZGross, TDRowbottom, MWAcevedo, OGao, YSaunders, JXie, QReinhart, GJLiu, XJLing, NBonneville, AKChen, TBozigian, HChen, C 3-[(2R)-Amino-2-phenylethyl]-1-(2,6-difluorobenzyl)-5-(2-fluoro-3-methoxyphenyl)- 6-methylpyrimidin-2,4-dione (NBI 42902) as a potent and orally active antagonist of the human gonadotropin-releasing hormone receptor. Design, synthesis, and in vitro and in vivo characterization. J Med Chem48:1169-78 (2005) [PubMed]  Article
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Gonadotropin-releasing hormone receptor
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:
MANSASPEQNQNHCSAINNSIPLMQGNLPTLTLSGKIRVTVTFFLFLLSATFNASFLLKL
QKWTQKKEKGKKLSRMKLLLKHLTLANLLETLIVMPLDGMWNITVQWYAGELLCKVLSYL
KLFSMYAPAFMMVVISLDRSLAITRPLALKSNSKVGQSMVGLAWILSSVFAGPQLYIFRM
IHLADSSGQTKVFSQCVTHCSFSQWWHQAFYNFFTFSCLFIIPLFIMLICNAKIIFTLTR
VLHQDPHELQLNQSKNNIPRARLKTLKMTVAFATSFTVCWTPYYVLGIWYWFDPEMLNRL
SDPVNHFFFLFAFLNPCFDPLIYGYFSL
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  Blast E-value cutoff:
BDBM50162023
n/a
NameBDBM50162023
Synonyms:3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-phenyl)-6-methyl-1-(2-trifluoromethyl-benzyl)-1H-pyrimidine-2,4-dione | CHEMBL360367
TypeSmall organic molecule
Emp. Form.C27H23F4N3O2
Mol. Mass.497.484
SMILESCc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccc1C(F)(F)F |wD:14.15,(3.73,-.86,;2.39,-.1,;2.39,1.45,;3.73,2.21,;5.04,1.42,;6.38,2.19,;6.38,3.73,;5.04,4.5,;3.72,3.73,;2.39,4.52,;1.05,2.21,;1.05,3.77,;-.27,1.45,;-1.61,2.21,;-2.94,1.42,;-2.94,-.1,;-4.26,2.21,;-4.26,3.73,;-5.6,4.5,;-6.95,3.73,;-6.92,2.19,;-5.6,1.42,;-.27,-.1,;-1.61,-.86,;1.05,-.86,;1.05,-2.4,;-.27,-3.17,;-1.61,-2.39,;-2.94,-3.15,;-2.94,-4.7,;-1.6,-5.46,;-.27,-4.7,;1.07,-5.46,;2.29,-6.16,;1.34,-7.05,;2.57,-4.88,)|
Structure
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