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GPCR

NameGonadotropin-releasing hormone receptor
SpeciesMacaca mulatta (Rhesus macaque)
GeneGNRHR
SynonymGnRH receptor
GnRH-R
DiseaseN/A for non-human GPCRs
Length59
Amino acid sequenceVAFATSFTVCWTPYYVLGIWYWFDPEMLNRVSDPVNHFFFLFAFLNPCFDPLIYGYFSL
UniProtQ8SPZ1
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5647
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL509075
Molecular formulaC31H28F5N3O5
IUPAC name4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid
Molecular weight617.573
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP2.3
Synonyms(R)-4-(2-(3-(2-fluoro-6-(trifluoromethyl)benzyl)-5-(2-fluoro-3-methoxyphenyl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)-1-phenylethylamino)butanoic acid
BDBM50260759
SCHEMBL1378026
(R)-4-{2-[5-(2-Fluoro-3-methoxyphenyl)-3-(2-fluoro-6-[trifluoromethyl]benzyl)-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenylethylamino}butyric Acid
Inchi KeyFWSQRSDDLDNXGE-VWLOTQADSA-N
Inchi IDInChI=1S/C31H28F5N3O5/c1-44-26-13-5-10-20(28(26)33)21-16-38(17-22-23(31(34,35)36)11-6-12-24(22)32)30(43)39(29(21)42)18-25(19-8-3-2-4-9-19)37-15-7-14-27(40)41/h2-6,8-13,16,25,37H,7,14-15,17-18H2,1H3,(H,40,41)/t25-/m0/s1
PubChem CID11331001
ChEMBLCHEMBL509075
IUPHARN/A
BindingDB50260759
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Activity81.0 nMPMID18442910ChEMBL

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