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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

NameCHEMBL301103
Molecular formulaC31H37FN4O5
IUPAC namemethyl 2-[8-[(2-fluorophenyl)methyl]-3-[[2-methoxyethyl(methyl)amino]methyl]-6-(3-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate
Molecular weight564.658
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP4.3
SynonymsBDBM50127197
2-[8-(2-Fluoro-benzyl)-3-{[(2-methoxy-ethyl)-methyl-amino]-methyl}-6-(3-methoxy-phenyl)-7-methyl-5-oxo-5,8-dihydro-imidazo[1,2-a]pyrimidin-2-yl]-2-methyl-propionic acid methyl ester
Inchi KeyAXEKRUVFUPEUSM-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H37FN4O5/c1-20-26(21-12-10-13-23(17-21)40-6)28(37)36-25(19-34(4)15-16-39-5)27(31(2,3)29(38)41-7)33-30(36)35(20)18-22-11-8-9-14-24(22)32/h8-14,17H,15-16,18-19H2,1-7H3
PubChem CID10929801
ChEMBLCHEMBL301103
IUPHARN/A
BindingDB50127197
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki300.0 nMPMID12699396BindingDB,ChEMBL

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