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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	CHEMBL439076
Molecular formula	C49H50F2N8O6
IUPAC name	ethyl 3-[[benzyl-[2-[[(2S)-3-methyl-1-oxo-1-(3-phenylprop-2-ynylamino)butan-2-yl]amino]-2-oxoethyl]amino]methyl]-8-[(2,6-difluorophenyl)methyl]-2-[4-(ethylcarbamoylamino)phenyl]-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate
Molecular weight	884.986
Hydrogen bond acceptor	11
Hydrogen bond donor	4
XlogP	6.7
Synonyms	BDBM50376891
Inchi Key	APSPIRFRZVFKQV-QLKFWGTOSA-N
Inchi ID	InChI=1S/C49H50F2N8O6/c1-5-52-48(64)54-36-24-22-35(23-25-36)44-41(59-46(62)38(47(63)65-6-2)29-58(49(59)56-44)28-37-39(50)20-13-21-40(37)51)30-57(27-34-17-11-8-12-18-34)31-42(60)55-43(32(3)4)45(61)53-26-14-19-33-15-9-7-10-16-33/h7-13,15-18,20-25,29,32,43H,5-6,26-28,30-31H2,1-4H3,(H,53,61)(H,55,60)(H2,52,54,64)/t43-/m0/s1
PubChem CID	44451379
ChEMBL	CHEMBL439076
IUPHAR	N/A
BindingDB	50376891
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. 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
Efficacy	60.0 %	PMID18282756	ChEMBL
Efficacy	64.0 %	PMID18282756	ChEMBL
IC50	520.0 nM	PMID18282756	BindingDB,ChEMBL
Ki	770.0 nM	PMID18282756	BindingDB,ChEMBL

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