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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	CHEMBL235180
Molecular formula	C40H41F2N13O5
IUPAC name	ethyl 3-[[[2-[[1-(2-azidoethyl)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	821.851
Hydrogen bond acceptor	14
Hydrogen bond donor	3
XlogP	4.2
Synonyms	BDBM50423187
Inchi Key	AQDPYVQQMJYHEB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C40H41F2N13O5/c1-3-44-39(59)47-28-15-13-27(14-16-28)36-34(55-37(57)31(38(58)60-4-2)23-53(40(55)48-36)22-30-32(41)11-8-12-33(30)42)24-52(20-26-9-6-5-7-10-26)25-35(56)45-19-29-21-54(51-49-29)18-17-46-50-43/h5-16,21,23H,3-4,17-20,22,24-25H2,1-2H3,(H,45,56)(H2,44,47,59)
PubChem CID	44434415
ChEMBL	CHEMBL235180
IUPHAR	N/A
BindingDB	50423187
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	74.0 %	PMID17517510	ChEMBL
IC50	724.0 nM	PMID17517510	BindingDB
IC50	724.44 nM	PMID17517510	ChEMBL

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