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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

NameCHEMBL299348
Molecular formulaC34H36FN5O4
IUPAC namemethyl 2-[8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate
Molecular weight597.691
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP4.9
SynonymsBDBM50127179
2-{8-(2-Fluoro-benzyl)-6-(3-methoxy-phenyl)-7-methyl-3-[(methyl-pyridin-2-ylmethyl-amino)-methyl]-5-oxo-5,8-dihydro-imidazo[1,2-a]pyrimidin-2-yl}-2-methyl-propionic acid methyl ester
Inchi KeyARQIDWVNKFKBSP-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H36FN5O4/c1-22-29(23-13-11-15-26(18-23)43-5)31(41)40-28(21-38(4)20-25-14-9-10-17-36-25)30(34(2,3)32(42)44-6)37-33(40)39(22)19-24-12-7-8-16-27(24)35/h7-18H,19-21H2,1-6H3
PubChem CID10995569
ChEMBLCHEMBL299348
IUPHARN/A
BindingDB50127179
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki4.2 nMPMID12699396BindingDB,ChEMBL

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