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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.
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GPCR

Name	Gonadotropin-releasing hormone receptor
Species	Rattus norvegicus (Rat)
Gene	Gnrhr
Synonym	luteinizing hormone-releasing hormone (LHRH) receptor luliberin receptor LHRHR LHRH receptor GNRHR1 GnRHR GnRH1 receptor GnRH-R GnRH receptor GnRH I receptor Type I GnRHR [ Show all ]
Disease	N/A for non-human GPCRs
Length	327
Amino acid sequence	MANNASLEQDQNHCSAINNSIPLTQGKLPTLTLSGKIRVTVTFFLFLLSTAFNASFLVKLQRWTQKRKKGKKLSRMKVLLKHLTLANLLETLIVMPLDGMWNITVQWYAGEFLCKVLSYLKLFSMYAPAFMMVVISLDRSLAVTQPLAVQSKSKLERSMTSLAWILSIVFAGPQLYIFRMIYLADGSGPAVFSQCVTHCSFPQWWHEAFYNFFTFSCLFIIPLLIMLICNAKIIFALTRVLHQDPRKLQLNQSKNNIPRARLRTLKMTVAFGTSFVICWTPYYVLGIWYWFDPEMLNRVSEPVNHFFFLFAFLNPCFDPLIYGYFSL
UniProt	P30969
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3066
IUPHAR	256
DrugBank	N/A

Ligand

Name	Relugolix
Molecular formula	C29H27F2N7O5S
IUPAC name	1-[4-[1-[(2,6-difluorophenyl)methyl]-5-[(dimethylamino)methyl]-3-(6-methoxypyridazin-3-yl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea
Molecular weight	623.636
Hydrogen bond acceptor	11
Hydrogen bond donor	2
XlogP	3.2
Synonyms	ZINC43206033 CHEMBL1800159 HY-16474 SB16721 AKOS027440398 D10888 N-(4-(1-((2,6-Difluorophenyl)methyl)-5-((dimethylamino)methyl)-1,2,3,4-tetrahydro-3-(6-methoxy-3-pyridazinyl)-2,4-dioxothieno(2,3-d)pyrimidin-6-yl)phenyl)-N'-methoxyurea TAK-385 1-[4-[1-[(2,6-difluorophenyl)methyl]-5-(dimethylaminomethyl)-3-(6-methoxypyridazin-3-yl)-2,4-dioxothieno[4,5-e]pyrimidin-6-yl]phenyl]-3-methoxyurea BDBM50347982 EX-A1083 Relugolix (JAN/INN) UNII-P76B05O5V6 CS-5917 KB-80788 SCHEMBL778416 AOMXMOCNKJTRQP-UHFFFAOYSA-N DB11853 P76B05O5V6 TAK-385/TAK385 1-{4-[1-(2,6-difluorobenzyl)-5-dimethylaminomethyl-3-(6-methoxypyridazin-3-yl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl]phenyl}-3-methoxyurea GTPL5586 Relugolix [USAN:INN] Urea, N-(4-(1-((2,6-difluorophenyl)methyl)-5-((dimethylamino)methyl)-1,2,3,4-tetrahydro-3-(6-methoxy-3-pyridazinyl)-2,4-dioxothieno(2,3-d)pyrimidin-6-yl)phenyl)-N'-methoxy- 737789-87-6 D0F2WP MolPort-044-567-649 TAK 385 1-(4-(1-(2,6-difluorobenzyl)-5-((dimethylamino)methyl)-3-(6-methoxypyridazin-3-yl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-3-methoxyurea BCP21587 DTXSID40224167 TAK385 [ Show all ]
Inchi Key	AOMXMOCNKJTRQP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H27F2N7O5S/c1-36(2)14-19-24-26(39)38(22-12-13-23(42-3)34-33-22)29(41)37(15-18-20(30)6-5-7-21(18)31)27(24)44-25(19)16-8-10-17(11-9-16)32-28(40)35-43-4/h5-13H,14-15H2,1-4H3,(H2,32,35,40)
PubChem CID	10348973
ChEMBL	CHEMBL1800159
IUPHAR	5586
BindingDB	50347982
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
IC50	0.32 nM	PMID21657270	BindingDB,ChEMBL
IC50	0.33 nM	PMID21657270	IUPHAR

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