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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Gonadotropin-releasing hormone receptor
Species	Homo sapiens (Human)
Gene	GNRHR
Synonym	LHRHR GnRH I receptor Type I GnRHR gnRH receptor GnRH-R LHRH receptor GnRHR GNRHR1 luteinizing hormone-releasing hormone (LHRH) receptor luliberin receptor GnRH1 receptor [ Show all ]
Disease	Uterine leiomyoma Hypothalamic hypogonadism Ovulation Prostate cancer Prostate disease Prostate hyperplasia Unspecified Female infertility Esophageal cancer Endometriosis Controlled ovarian stimulation Cancer Advanced prostate cancer Acute lymphoblastic leukemia Hormone deficiency [ Show all ]
Length	328
Amino acid sequence	MANSASPEQNQNHCSAINNSIPLMQGNLPTLTLSGKIRVTVTFFLFLLSATFNASFLLKLQKWTQKKEKGKKLSRMKLLLKHLTLANLLETLIVMPLDGMWNITVQWYAGELLCKVLSYLKLFSMYAPAFMMVVISLDRSLAITRPLALKSNSKVGQSMVGLAWILSSVFAGPQLYIFRMIHLADSSGQTKVFSQCVTHCSFSQWWHQAFYNFFTFSCLFIIPLFIMLICNAKIIFTLTRVLHQDPHELQLNQSKNNIPRARLKTLKMTVAFATSFTVCWTPYYVLGIWYWFDPEMLNRLSDPVNHFFFLFAFLNPCFDPLIYGYFSL
UniProt	P30968
Protein Data Bank	N/A
GPCR-HGmod model	P30968
3D structure model	This predicted structure model is from GPCR-EXP P30968.
BioLiP	N/A
Therapeutic Target Database	T12475
ChEMBL	CHEMBL1855
IUPHAR	256
DrugBank	BE0000203

Ligand

Name	CHEMBL117069
Molecular formula	C36H38F2N4O4
IUPAC name	ethyl 8-fluoro-1-[(2-fluorophenyl)methyl]-7-[4-(2-methylpropoxy)phenyl]-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-oxopyrrolo[1,2-a]pyrimidine-3-carboxylate
Molecular weight	628.721
Hydrogen bond acceptor	9
Hydrogen bond donor	0
XlogP	6.7
Synonyms	1-(2-Fluorobenzyl)-4-oxo-6-[[methyl[2-(2-pyridyl)ethyl]amino]methyl]-7-(4-isobutoxyphenyl)-8-fluoro-1,4-dihydropyrrolo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester BDBM50121188 L021954 8-Fluoro-1-(2-fluoro-benzyl)-7-(4-isobutoxy-phenyl)-6-{[methyl-(2-pyridin-2-yl-ethyl)-amino]-methyl}-4-oxo-1,4-dihydro-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester
Inchi Key	BESXPIQHJIJZFU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C36H38F2N4O4/c1-5-45-36(44)29-21-41(20-26-10-6-7-12-30(26)37)34-33(38)32(25-13-15-28(16-14-25)46-23-24(2)3)31(42(34)35(29)43)22-40(4)19-17-27-11-8-9-18-39-27/h6-16,18,21,24H,5,17,19-20,22-23H2,1-4H3
PubChem CID	9852184
ChEMBL	CHEMBL117069
IUPHAR	N/A
BindingDB	50121188
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	9.0 nM	PMID12419391	BindingDB,ChEMBL

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