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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

NameMLS000057790
Molecular formulaC18H13N3O3
IUPAC nameN-(1,3-benzodioxol-5-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
Molecular weight319.32
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.7
SynonymsN-(1,3-benzodioxol-5-ylmethyl)-4-benzofuro[3,2-d]pyrimidinamine
ZINC4164825
N-[(2H-1,3-benzodioxol-5-yl)methyl]-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaen-6-amine
AC1MHAJK
HMS1764A06
[ Show all ]
Inchi KeyACBAKVVEGJKNPL-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H13N3O3/c1-2-4-13-12(3-1)16-17(24-13)18(21-9-20-16)19-8-11-5-6-14-15(7-11)23-10-22-14/h1-7,9H,8,10H2,(H,19,20,21)
PubChem CID2998880
ChEMBLCHEMBL1491068
IUPHARN/A
BindingDB36996
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Potency19952.6 nMPubChem BioAssay data setChEMBL

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