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GPCR

NameGonadotropin-releasing hormone receptor
SpeciesHomo sapiens (Human)
GeneGNRHR
SynonymLHRHR
GnRH I receptor
Type I GnRHR
gnRH receptor
GnRH-R
[ Show all ]
DiseaseUterine leiomyoma
Hypothalamic hypogonadism
Ovulation
Prostate cancer
Prostate disease
[ Show all ]
Length328
Amino acid sequenceMANSASPEQNQNHCSAINNSIPLMQGNLPTLTLSGKIRVTVTFFLFLLSATFNASFLLKLQKWTQKKEKGKKLSRMKLLLKHLTLANLLETLIVMPLDGMWNITVQWYAGELLCKVLSYLKLFSMYAPAFMMVVISLDRSLAITRPLALKSNSKVGQSMVGLAWILSSVFAGPQLYIFRMIHLADSSGQTKVFSQCVTHCSFSQWWHQAFYNFFTFSCLFIIPLFIMLICNAKIIFTLTRVLHQDPHELQLNQSKNNIPRARLKTLKMTVAFATSFTVCWTPYYVLGIWYWFDPEMLNRLSDPVNHFFFLFAFLNPCFDPLIYGYFSL
UniProtP30968
Protein Data BankN/A
GPCR-HGmod modelP30968
3D structure modelThis predicted structure model is from GPCR-EXP P30968.
BioLiPN/A
Therapeutic Target DatabaseT12475
ChEMBLCHEMBL1855
IUPHAR256
DrugBankBE0000203

Ligand

NameCHEMBL365985
Molecular formulaC26H21F4N3O2
IUPAC name3-[(2R)-2-amino-2-phenylethyl]-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-phenylpyrimidine-2,4-dione
Molecular weight483.467
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.1
SynonymsBDBM50166456
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2-fluoro-6-trifluoromethyl-benzyl)-5-phenyl-1H-pyrimidine-2,4-dione
(R)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-amino-2-phenylethyl)-5-phenylpyrimidine-2,4(1H,3H)-dione
Inchi KeyAVWXVFNJXMOFEK-QHCPKHFHSA-N
Inchi IDInChI=1S/C26H21F4N3O2/c27-22-13-7-12-21(26(28,29)30)20(22)15-32-14-19(17-8-3-1-4-9-17)24(34)33(25(32)35)16-23(31)18-10-5-2-6-11-18/h1-14,23H,15-16,31H2/t23-/m0/s1
PubChem CID44400121
ChEMBLCHEMBL365985
IUPHARN/A
BindingDB50166456
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki7.8 nMPMID15863308, PMID18442910BindingDB,ChEMBL

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