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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	CHEMBL236221
Molecular formula	C46H53F2N13O8
IUPAC name	ethyl 3-[[[2-[[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]-2-oxoethyl]-benzylamino]methyl]-8-[(2,6-difluorophenyl)methyl]-2-[4-(ethylcarbamoylamino)phenyl]-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate
Molecular weight	954.01
Hydrogen bond acceptor	17
Hydrogen bond donor	3
XlogP	3.8
Synonyms	BDBM50423184
Inchi Key	AWEPLDCHTFPUBQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C46H53F2N13O8/c1-3-50-45(65)53-34-15-13-33(14-16-34)42-40(61-43(63)37(44(64)69-4-2)29-59(46(61)54-42)28-36-38(47)11-8-12-39(36)48)30-58(26-32-9-6-5-7-10-32)31-41(62)51-25-35-27-60(57-55-35)18-20-67-22-24-68-23-21-66-19-17-52-56-49/h5-16,27,29H,3-4,17-26,28,30-31H2,1-2H3,(H,51,62)(H2,50,53,65)
PubChem CID	44434432
ChEMBL	CHEMBL236221
IUPHAR	N/A
BindingDB	50423184
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.

Experimental Data

Parameter	Value	Reference	Database source
Activity	76.0 %	PMID17517510	ChEMBL
IC50	724.0 nM	PMID17517510	BindingDB
IC50	724.44 nM	PMID17517510	ChEMBL

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