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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	CHEMBL235519
Molecular formula	C31H35ClF2N4O2
IUPAC name	6-[(4-chlorophenyl)methyl]-3-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methyl]-1-[(2,6-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
Molecular weight	569.094
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	5.0
Synonyms	BDBM50215189 (R)-1-(2,6-difluorobenzyl)-6-(4-chlorobenzyl)-3-((1-cyclopentylpyrrolidin-2-yl)methyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione
Inchi Key	AUTSCZOWVXPUGG-XMMPIXPASA-N
Inchi ID	InChI=1S/C31H35ClF2N4O2/c32-22-12-10-21(11-13-22)17-35-16-14-29-26(19-35)30(39)38(18-24-7-4-15-36(24)23-5-1-2-6-23)31(40)37(29)20-25-27(33)8-3-9-28(25)34/h3,8-13,23-24H,1-2,4-7,14-20H2/t24-/m1/s1
PubChem CID	44436014
ChEMBL	CHEMBL235519
IUPHAR	N/A
BindingDB	50215189
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1370.0 nM	PMID17561404	BindingDB,ChEMBL

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