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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

NameNBI-42902
Molecular formulaC27H24F3N3O3
IUPAC name3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione
Molecular weight495.502
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.8
Synonyms3FWQ4MD98O
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
[ Show all ]
Inchi KeyCJUWBZDJMYYRDG-QFIPXVFZSA-N
Inchi IDInChI=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 CID11167850
ChEMBLCHEMBL179691
IUPHAR1178, 1187
BindingDB50162007
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki3.5 nMPMID18419112BindingDB,ChEMBL
Ki5.7 nMPMID19006286BindingDB,ChEMBL

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