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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

NameSufugolix
Molecular formulaC36H31F2N5O4S
IUPAC name1-[4-[5-[[benzyl(methyl)amino]methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea
Molecular weight667.732
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP6.1
SynonymsUrea, N-(4-(1-((2,6-difluorophenyl)methyl)-1,2,3,4-tetrahydro-5-((methyl(phenylmethyl)amino)methyl)-2,4-dioxo-3-phenylthieno(2,3-d)pyrimidin-6-yl)phenyl)-N'-methoxy-
308831-61-0
AC1MI503
SCHEMBL209021
1-[4-(5-{[BENZYL(METHYL)AMINO]METHYL}-1-[(2,6-DIFLUOROPHENYL)METHYL]-2,4-DIOXO-3-PHENYL-1H,2H,3H,4H-THIENO[2,3-D]PYRIMIDIN-6-YL)PHENYL]-3-METHOXYUREA
[ Show all ]
Inchi KeyUCQSBGOFELXYIN-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)
PubChem CID3038517
ChEMBLCHEMBL22055
IUPHAR1185
BindingDB50122654
DrugBankDB06494

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC500.6 nMPMID18419112BindingDB,ChEMBL

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