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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	CHEMBL236331
Molecular formula	C31H32ClF2N5O2
IUPAC name	6-[(3-chlorophenyl)methyl]-1-[(2,6-difluorophenyl)methyl]-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
Molecular weight	580.077
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.1
Synonyms	BDBM50215210 1-(2,6-difluorobenzyl)-6-(3-chlorobenzyl)-3-(2-(methyl(2-(pyridin-2-yl)ethyl)amino)ethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione
Inchi Key	AYSIDPWCVRGUGA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H32ClF2N5O2/c1-36(14-11-24-8-2-3-13-35-24)16-17-38-30(40)26-20-37(19-22-6-4-7-23(32)18-22)15-12-29(26)39(31(38)41)21-25-27(33)9-5-10-28(25)34/h2-10,13,18H,11-12,14-17,19-21H2,1H3
PubChem CID	44435983
ChEMBL	CHEMBL236331
IUPHAR	N/A
BindingDB	50215210
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	850.0 nM	PMID17561404	BindingDB,ChEMBL

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