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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

NameCHEMBL235180
Molecular formulaC40H41F2N13O5
IUPAC nameethyl 3-[[[2-[[1-(2-azidoethyl)triazol-4-yl]methylamino]-2-oxoethyl]-benzylamino]methyl]-8-[(2,6-difluorophenyl)methyl]-2-[4-(ethylcarbamoylamino)phenyl]-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate
Molecular weight821.851
Hydrogen bond acceptor14
Hydrogen bond donor3
XlogP4.2
SynonymsBDBM50423187
Inchi KeyAQDPYVQQMJYHEB-UHFFFAOYSA-N
Inchi IDInChI=1S/C40H41F2N13O5/c1-3-44-39(59)47-28-15-13-27(14-16-28)36-34(55-37(57)31(38(58)60-4-2)23-53(40(55)48-36)22-30-32(41)11-8-12-33(30)42)24-52(20-26-9-6-5-7-10-26)25-35(56)45-19-29-21-54(51-49-29)18-17-46-50-43/h5-16,21,23H,3-4,17-20,22,24-25H2,1-2H3,(H,45,56)(H2,44,47,59)
PubChem CID44434415
ChEMBLCHEMBL235180
IUPHARN/A
BindingDB50423187
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Activity74.0 %PMID17517510ChEMBL
IC50724.0 nMPMID17517510BindingDB
IC50724.44 nMPMID17517510ChEMBL

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