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GLASS

You can:

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	Macaca mulatta (Rhesus macaque)
Gene	GNRHR
Synonym	GnRH receptor GnRH-R
Disease	N/A for non-human GPCRs
Length	59
Amino acid sequence	VAFATSFTVCWTPYYVLGIWYWFDPEMLNRVSDPVNHFFFLFAFLNPCFDPLIYGYFSL
UniProt	Q8SPZ1
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	CHEMBL5647
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL120432
Molecular formula	C28H28ClN5O3
IUPAC name	4-[2-[(2S)-azetidin-2-yl]ethoxy]-7-chloro-2-oxo-N-pyrimidin-4-yl-3-(3,4,5-trimethylphenyl)-1H-quinoline-6-carboxamide
Molecular weight	518.014
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	4.0
Synonyms	BDBM50098391 N-(4-Pyrimidinyl)-2-oxo-3-(3,4,5-trimethylphenyl)-4-[2-[(2S)-azetidine-2alpha-yl]ethoxy]-7-chloro-1,2-dihydroquinoline-6-carboxamide 4-(2-Azetidin-2-yl-ethoxy)-7-chloro-2-oxo-3-(3,4,5-trimethyl-phenyl)-1,2-dihydro-quinoline-6-carboxylic acid pyrimidin-4-ylamide (S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(pyrimidin-4-yl)-3-(3,4,5-trimethylphenyl)-1,2-dihydroquinoline-6-carboxamide 4-((S)-2-Azetidin-2-yl-ethoxy)-7-chloro-2-oxo-3-(3,4,5-trimethyl-phenyl)-1,2-dihydro-quinoline-6-carboxylic acid pyrimidin-4-ylamide
Inchi Key	XESORVDKNANWAB-IBGZPJMESA-N
Inchi ID	InChI=1S/C28H28ClN5O3/c1-15-10-18(11-16(2)17(15)3)25-26(37-9-6-19-4-8-31-19)21-12-20(22(29)13-23(21)33-28(25)36)27(35)34-24-5-7-30-14-32-24/h5,7,10-14,19,31H,4,6,8-9H2,1-3H3,(H,33,36)(H,30,32,34,35)/t19-/m0/s1
PubChem CID	10649568
ChEMBL	CHEMBL120432
IUPHAR	N/A
BindingDB	50098391
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	7.0 nM	PMID18419112	BindingDB,ChEMBL
Ki	0.5 nM	PMID18419112	BindingDB,ChEMBL

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