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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

Nameuwisc-betapep-72
Molecular formulaC40H71N7O9
IUPAC name(3S)-3-[[(3S)-3-[[(1R,2R)-2-[[(3S)-6-amino-3-[[(3S)-3-[[(1R,2R)-2-aminocyclohexanecarbonyl]amino]-5-methylhexanoyl]amino]hexanoyl]amino]cyclohexanecarbonyl]amino]-5-methylhexanoyl]amino]hexanedioic acid
Molecular weight794.048
Hydrogen bond acceptor11
Hydrogen bond donor9
XlogP-2.2
SynonymsCHEMBL1555046
AC1O7H77
NCGC00074722-01
(3S)-3-[[(3S)-3-[[(1R,2R)-2-[[(3S)-6-amino-3-[[(3S)-3-[[(1R,2R)-2-aminocyclohexanecarbonyl]amino]-5-methylhexanoyl]amino]hexanoyl]amino]cyclohexanecarbonyl]amino]-5-methylhexanoyl]amino]hexanedioic acid
Inchi KeyAAFDICQMTWSBRE-JBMYIVNKSA-N
Inchi IDInChI=1S/C40H71N7O9/c1-24(2)18-28(45-39(55)30-11-5-7-13-32(30)42)21-34(48)43-26(10-9-17-41)20-36(50)47-33-14-8-6-12-31(33)40(56)46-29(19-25(3)4)22-35(49)44-27(23-38(53)54)15-16-37(51)52/h24-33H,5-23,41-42H2,1-4H3,(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,47,50)(H,51,52)(H,53,54)/t26-,27-,28-,29-,30+,31+,32+,33+/m0/s1
PubChem CID6605027
ChEMBLCHEMBL1555046
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Potency31622.8 nMPubChem BioAssay data setChEMBL

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