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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

NameElagolix sodium
Molecular formulaC32H29F5N3NaO5
IUPAC namesodium;4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoate
Molecular weight653.582
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogPNone
SynonymsAKOS030524154
Elagolix sodium (USAN)
MolPort-003-984-965
UNII-5948VUI423
4-((r)-2-[5-(2-fluoro-3-methoxy-phenyl)-3-(2-fluoro-6-trifluoromethyl-benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2h-pyrimidin-1-yl]-1-phenyl-ethylamino)-butyric acid sodium salt
[ Show all ]
Inchi KeyDQYGXRQUFSRDCH-UQIIZPHYSA-M
Inchi IDInChI=1S/C32H30F5N3O5.Na/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33;/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42);/q;+1/p-1/t25-;/m0./s1
PubChem CID24785956
ChEMBLCHEMBL502182
IUPHARN/A
BindingDBN/A
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.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
Ki3.3 nMPMID19006286ChEMBL

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