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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

NameCHEMBL417645
Molecular formulaC29H29F3N4O3
IUPAC name1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione
Molecular weight538.571
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP4.1
SynonymsBDBM50140096
1-(2,6-Difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-3-{2-[methyl-(2-pyridin-2-yl-ethyl)-amino]-ethyl}-1H-pyrimidine-2,4-dione
Inchi KeyADYYHGJMWPGLSW-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H29F3N4O3/c1-19-26(21-9-6-12-25(39-3)27(21)32)28(37)35(17-16-34(2)15-13-20-8-4-5-14-33-20)29(38)36(19)18-22-23(30)10-7-11-24(22)31/h4-12,14H,13,15-18H2,1-3H3
PubChem CID11226470
ChEMBLCHEMBL417645
IUPHARN/A
BindingDB50140096
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki3.0 nMPMID14971906BindingDB,ChEMBL

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