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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	CHEMBL68985
Molecular formula	C37H34FN5O4
IUPAC name	6-(1,3-benzodioxol-5-yl)-8-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-7-methyl-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]imidazo[1,2-a]pyrimidin-5-one
Molecular weight	631.708
Hydrogen bond acceptor	9
Hydrogen bond donor	0
XlogP	6.0
Synonyms	6-Benzo[1,3]dioxol-5-yl-8-(2-fluoro-benzyl)-2-(4-methoxy-phenyl)-7-methyl-3-{[methyl-(2-pyridin-4-yl-ethyl)-amino]-methyl}-8H-imidazo[1,2-a]pyrimidin-5-one 2-(4-Methoxyphenyl)-3-[methyl[2-(4-pyridyl)ethyl]aminomethyl]-6-(1,3-benzodioxole-5-yl)-7-methyl-8-(2-fluorobenzyl)-5,8-dihydroimidazo[1,2-a]pyrimidine-5-one BDBM50116246
Inchi Key	AQZSZTYPDANNPB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C37H34FN5O4/c1-24-34(27-10-13-32-33(20-27)47-23-46-32)36(44)43-31(22-41(2)19-16-25-14-17-39-18-15-25)35(26-8-11-29(45-3)12-9-26)40-37(43)42(24)21-28-6-4-5-7-30(28)38/h4-15,17-18,20H,16,19,21-23H2,1-3H3
PubChem CID	44309403
ChEMBL	CHEMBL68985
IUPHAR	N/A
BindingDB	50116246
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	1400.0 nM	PMID12127533	BindingDB,ChEMBL

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