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GPCR

NameThyrotropin receptor
SpeciesHomo sapiens (Human)
GeneTSHR
SynonymThyroid-stimulating hormone receptor
TSH receptor
Thyrotropin Receptor
TSH-R
LGR3
DiseaseDiagnostic test to differentiate primary and secondary hypothyroidism
Thyroid cancer
Thyroid cancer diagnosis
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

Name1,3-dimethyl-6-[(3-methylbutyl)amino]pyrimidine-2,4(1H,3H)-dione
Molecular formulaC11H19N3O2
IUPAC name1,3-dimethyl-6-(3-methylbutylamino)pyrimidine-2,4-dione
Molecular weight225.292
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.3
Synonyms1,3-Dimethyl-6-(3-methyl-butylamino)-1H-pyrimidine-2,4-dione
1,3-dimethyl-6-(3-methylbutylamino)pyrimidine-2,4-dione
1,3-dimethyl-6-[(3-methylbutyl)amino]-1,3-dihydropyrimidine-2,4-dione
5770-47-8
6-(isopentylamino)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
[ Show all ]
Inchi KeyAFRSVCWIBCSISD-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H19N3O2/c1-8(2)5-6-12-9-7-10(15)14(4)11(16)13(9)3/h7-8,12H,5-6H2,1-4H3
PubChem CID777240
ChEMBLCHEMBL1362431
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Potency39810.7 nMPubChem BioAssay data setChEMBL

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