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GPCR

NameGonadotropin-releasing hormone receptor
SpeciesHomo sapiens (Human)
GeneGNRHR
Synonymluliberin receptor
GnRH-R
GNRHR1
LHRHR
LHRH receptor
[ Show all ]
DiseaseUterine leiomyoma
Unspecified
Prostate hyperplasia
Prostate disease
Prostate cancer
[ 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

NameCHEMBL324759
Molecular formulaC29H30F2N4O3
IUPAC name1-[(2,6-difluorophenyl)methyl]-5-(3-methoxyphenyl)-6-methyl-3-[(2S)-2-[methyl(pyridin-2-ylmethyl)amino]propyl]pyrimidine-2,4-dione
Molecular weight520.581
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.0
SynonymsBDBM50132736
1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-methyl-3-[(S)-2-(methyl-pyridin-2-ylmethyl-amino)-propyl]-1H-pyrimidine-2,4-dione
Inchi KeyACHAWAOSLYJAMP-IBGZPJMESA-N
Inchi IDInChI=1S/C29H30F2N4O3/c1-19(33(3)17-22-10-5-6-14-32-22)16-35-28(36)27(21-9-7-11-23(15-21)38-4)20(2)34(29(35)37)18-24-25(30)12-8-13-26(24)31/h5-15,19H,16-18H2,1-4H3/t19-/m0/s1
PubChem CID44340656
ChEMBLCHEMBL324759
IUPHARN/A
BindingDB50132736
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki470.0 nMPMID12951116BindingDB,ChEMBL

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