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GLASS

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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	CHEMBL130607
Molecular formula	C34H31F2N5O4
IUPAC name	ethyl 8-cyano-1-[(2,6-difluorophenyl)methyl]-7-(4-methoxyphenyl)-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-oxopyrrolo[1,2-a]pyrimidine-3-carboxylate
Molecular weight	611.65
Hydrogen bond acceptor	10
Hydrogen bond donor	0
XlogP	5.1
Synonyms	1-(2,6-Difluorobenzyl)-4-oxo-6-[methyl[2-(2-pyridinyl)ethyl]aminomethyl]-7-(4-methoxyphenyl)-8-cyano-1,4-dihydropyrrolo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester BDBM50109214 8-Cyano-1-(2,6-difluoro-benzyl)-7-(4-methoxy-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	AEDNDIPRPKKLJV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C34H31F2N5O4/c1-4-45-34(43)27-20-40(19-26-28(35)9-7-10-29(26)36)32-25(18-37)31(22-11-13-24(44-3)14-12-22)30(41(32)33(27)42)21-39(2)17-15-23-8-5-6-16-38-23/h5-14,16,20H,4,15,17,19,21H2,1-3H3
PubChem CID	44352801
ChEMBL	CHEMBL130607
IUPHAR	N/A
BindingDB	50109214
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	2000.0 nM	PMID11814806	BindingDB,ChEMBL

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