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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	NBI-42902
Molecular formula	C27H24F3N3O3
IUPAC name	3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione
Molecular weight	495.502
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.8
Synonyms	3-[(2r)-amino-2-phenylethyl]-1-(2,6-difluorobenzyl)-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidin-2,4-dione D0D3ZP SCHEMBL5758034 GTPL1187 [3H]NBI-49202 3-(2-amino-2-phenylethyl)-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione (R)-1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylethyl)-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4(1H,3H)-dione 352290-60-9 FT-0771447 UNII-3FWQ4MD98O 2,4(1H,3H)-Pyrimidinedione, 3-((2R)-2-amino-2-phenylethyl)-1-((2,6-difluorophenyl)methyl)-5-(2-fluoro-3-methoxyphenyl)-6-methyl- API0005260 KB-138000 3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione CHEMBL179691 NBI42902 3FWQ4MD98O GTPL1178 ZINC6716969 3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione BDBM50162007 NBI 42902 [ Show all ]
Inchi Key	CJUWBZDJMYYRDG-QFIPXVFZSA-N
Inchi ID	InChI=1S/C27H24F3N3O3/c1-16-24(18-10-6-13-23(36-2)25(18)30)26(34)33(15-22(31)17-8-4-3-5-9-17)27(35)32(16)14-19-20(28)11-7-12-21(19)29/h3-13,22H,14-15,31H2,1-2H3/t22-/m0/s1
PubChem CID	11167850
ChEMBL	CHEMBL179691
IUPHAR	1187, 1178
BindingDB	50162007
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	3.5 nM	PMID18419112	BindingDB,ChEMBL
Ki	5.7 nM	PMID19006286	BindingDB,ChEMBL

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