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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL487627
Molecular formula	C21H18F6N6
IUPAC name	2-(trifluoromethyl)-4-[4-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]methyl]piperazin-1-yl]-1H-benzimidazole
Molecular weight	468.407
Hydrogen bond acceptor	10
Hydrogen bond donor	2
XlogP	4.3
Synonyms	BDBM50243854 2-(Trifluoromethyl)-4-(4-((2-(trifluoromethyl)-1Hbenzo[d]imidazol-4-yl)methyl)piperazin-1-yl)-1Hbenzo[d]imidazole
Inchi Key	BEQHOOCNSMRQCI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H18F6N6/c22-20(23,24)18-28-13-4-1-3-12(16(13)30-18)11-32-7-9-33(10-8-32)15-6-2-5-14-17(15)31-19(29-14)21(25,26)27/h1-6H,7-11H2,(H,28,30)(H,29,31)
PubChem CID	44561108
ChEMBL	CHEMBL487627
IUPHAR	N/A
BindingDB	50243854
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	9500.0 nM	PMID18511284	BindingDB,ChEMBL
IC50	21000.0 nM	PMID18511284	BindingDB,ChEMBL

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