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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

NameCHEMBL212207
Molecular formulaC33H32N2O4S
IUPAC nameethyl 3-[[benzyl(methyl)amino]methyl]-7-[(2-methoxyphenyl)methyl]-4-oxo-2-phenylthieno[2,3-b]pyridine-5-carboxylate
Molecular weight552.689
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP6.6
SynonymsBDBM50189737
ethyl 7-(2-methoxybenzyl)-3-((benzyl(methyl)amino)methyl)-4-oxo-2-phenyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate
SCHEMBL7016040
Inchi KeyAPSMEWJRATXUIE-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H32N2O4S/c1-4-39-33(37)27-22-35(20-25-17-11-12-18-28(25)38-3)32-29(30(27)36)26(31(40-32)24-15-9-6-10-16-24)21-34(2)19-23-13-7-5-8-14-23/h5-18,22H,4,19-21H2,1-3H3
PubChem CID11606766
ChEMBLCHEMBL212207
IUPHARN/A
BindingDB50189737
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50200.0 nMPMID16789738BindingDB,ChEMBL

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