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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

NameUPCMLD04ASTW002110
Molecular formulaC26H32N2O3
IUPAC namebenzyl N-[(S)-[(1S,2R)-2-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-1-methylcyclopropyl]-phenylmethyl]carbamate
Molecular weight420.553
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.6
Synonymsbenzyl N-[(S)-[(1S,2R)-2-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-1-methylcyclopropyl]-phenylmethyl]carbamate
SMR000388788
CMLD4_000269
NCGC00074230-01
HMS2219F15
[ Show all ]
Inchi KeyAABYLPRACHMDSN-DDKMDXNESA-N
Inchi IDInChI=1S/C26H32N2O3/c1-18(24(29)27-16-19-13-14-19)22-15-26(22,2)23(21-11-7-4-8-12-21)28-25(30)31-17-20-9-5-3-6-10-20/h3-12,18-19,22-23H,13-17H2,1-2H3,(H,27,29)(H,28,30)/t18-,22-,23-,26+/m1/s1
PubChem CID3247284
ChEMBLCHEMBL1593731
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
Potency10000.0 nMPubChem BioAssay data setChEMBL

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