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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
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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	CHEMBL450471
Molecular formula	C30H26ClF4N3O4
IUPAC name	4-[[(1R)-2-[5-(2-chlorophenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid
Molecular weight	603.999
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	2.8
Synonyms	BDBM50260762 SCHEMBL1378898 (R)-4-(2-(3-(2-fluoro-6-(trifluoromethyl)benzyl)-5-(2-chlorophenyl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)-1-phenylethylamino)butanoic acid
Inchi Key	WXJLFSUTNCMCGA-SANMLTNESA-N
Inchi ID	InChI=1S/C30H26ClF4N3O4/c31-24-12-5-4-10-20(24)21-16-37(17-22-23(30(33,34)35)11-6-13-25(22)32)29(42)38(28(21)41)18-26(19-8-2-1-3-9-19)36-15-7-14-27(39)40/h1-6,8-13,16,26,36H,7,14-15,17-18H2,(H,39,40)/t26-/m0/s1
PubChem CID	11467552
ChEMBL	CHEMBL450471
IUPHAR	N/A
BindingDB	50260762
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	11.0 nM	PMID18442910	BindingDB,ChEMBL
Ki	3.162 nM	PMID18442910	ChEMBL
Ki	3.4 nM	PMID18442910	BindingDB,ChEMBL

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