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GPCR

NameThyrotropin receptor
SpeciesHomo sapiens (Human)
GeneTSHR
SynonymLGR3
Thyroid-stimulating hormone receptor
Thyrotropin Receptor
TSH receptor
TSH-R
DiseaseThyroid cancer diagnosis
Diagnostic test to differentiate primary and secondary hypothyroidism
Thyroid cancer
Length764
Amino acid sequenceMRPADLLQLVLLLDLPRDLGGMGCSSPPCECHQEEDFRVTCKDIQRIPSLPPSTQTLKLIETHLRTIPSHAFSNLPNISRIYVSIDVTLQQLESHSFYNLSKVTHIEIRNTRNLTYIDPDALKELPLLKFLGIFNTGLKMFPDLTKVYSTDIFFILEITDNPYMTSIPVNAFQGLCNETLTLKLYNNGFTSVQGYAFNGTKLDAVYLNKNKYLTVIDKDAFGGVYSGPSLLDVSQTSVTALPSKGLEHLKELIARNTWTLKKLPLSLSFLHLTRADLSYPSHCCAFKNQKKIRGILESLMCNESSMQSLRQRKSVNALNSPLHQEYEENLGDSIVGYKEKSKFQDTHNNAHYYVFFEEQEDEIIGFGQELKNPQEETLQAFDSHYDYTICGDSEDMVCTPKSDEFNPCEDIMGYKFLRIVVWFVSLLALLGNVFVLLILLTSHYKLNVPRFLMCNLAFADFCMGMYLLLIASVDLYTHSEYYNHAIDWQTGPGCNTAGFFTVFASELSVYTLTVITLERWYAITFAMRLDRKIRLRHACAIMVGGWVCCFLLALLPLVGISSYAKVSICLPMDTETPLALAYIVFVLTLNIVAFVIVCCCYVKIYITVRNPQYNPGDKDTKIAKRMAVLIFTDFICMAPISFYALSAILNKPLITVSNSKILLVLFYPLNSCANPFLYAIFTKAFQRDVFILLSKFGICKRQAQAYRGQRVPPKNSTDIQVQKVTHDMRQGLHNMEDVYELIENSHLTPKKQGQISEEYMQTVL
UniProtP16473
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseT60606
ChEMBLCHEMBL1963
IUPHAR255
DrugBankN/A

Ligand

NameMLS000072668
Molecular formulaC26H35ClN6O3
IUPAC name1-[(1-cyclopentyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine;hydrochloride
Molecular weight515.055
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogPNone
SynonymsAC1O7FS9
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2,3-dimethoxy-phenyl)-methyl]-4-(4-methoxy-phenyl)-piperazine
SMR000004862
MLS000882397
1-[(1-cyclopentyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine hydrochloride
[ Show all ]
Inchi KeyAMGUPFVNSUOYTH-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H34N6O3.ClH/c1-33-21-13-11-19(12-14-21)30-15-17-31(18-16-30)24(22-9-6-10-23(34-2)25(22)35-3)26-27-28-29-32(26)20-7-4-5-8-20;/h6,9-14,20,24H,4-5,7-8,15-18H2,1-3H3;1H
PubChem CID6603437
ChEMBLCHEMBL1531251
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
Potency199.5 nMPubChem BioAssay data setChEMBL

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