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GPCR

NameThyrotropin-releasing hormone receptor
SpeciesHomo sapiens (Human)
GeneTRHR
SynonymThyroliberin receptor
TRH receptor
TRH-R
TRH-R1
TRH1 receptor
DiseaseUnspecified
Pain
Neurodegenerative disease
Endocrine disease
Cognitive disorders
[ Show all ]
Length398
Amino acid sequenceMENETVSELNQTQLQPRAVVALEYQVVTILLVLIICGLGIVGNIMVVLVVMRTKHMRTPTNCYLVSLAVADLMVLVAAGLPNITDSIYGSWVYGYVGCLCITYLQYLGINASSCSITAFTIERYIAICHPIKAQFLCTFSRAKKIIIFVWAFTSLYCMLWFFLLDLNISTYKDAIVISCGYKISRNYYSPIYLMDFGVFYVVPMILATVLYGFIARILFLNPIPSDPKENSKTWKNDSTHQNTNLNVNTSNRCFNSTVSSRKQVTKMLAVVVILFALLWMPYRTLVVVNSFLSSPFQENWFLLFCRICIYLNSAINPVIYNLMSQKFRAAFRKLCNCKQKPTEKPANYSVALNYSVIKESDHFSTELDDITVTDTYLSATKVSFDDTCLASEVSFSQS
UniProtP34981
Protein Data BankN/A
GPCR-HGmod modelP34981
3D structure modelThis predicted structure model is from GPCR-EXP P34981.
BioLiPN/A
Therapeutic Target DatabaseT77796
ChEMBLCHEMBL1810
IUPHAR363
DrugBankBE0008659

Ligand

NameCHEMBL224655
Molecular formulaC21H32N6O4
IUPAC name(2S)-N-[(2S)-3-(2-tert-butyl-1H-imidazol-5-yl)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide
Molecular weight432.525
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP-0.4
SynonymsBDBM50196459
(2S)-1-[(2S)-2-(2S)-6-oxohexahydro-2-pyridinylcarboxamido]-3-(2-tert-butyl-1H-imidazolyl)propanoyl]-azalone-2-carboxamide
Inchi KeyCCPRCGWULGRROO-KKUMJFAQSA-N
Inchi IDInChI=1S/C21H32N6O4/c1-21(2,3)20-23-11-12(24-20)10-14(19(31)27-9-5-7-15(27)17(22)29)26-18(30)13-6-4-8-16(28)25-13/h11,13-15H,4-10H2,1-3H3,(H2,22,29)(H,23,24)(H,25,28)(H,26,30)/t13-,14-,15-/m0/s1
PubChem CID44422086
ChEMBLCHEMBL224655
IUPHARN/A
BindingDB50196459
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<100000.0 nMPMID17035026BindingDB,ChEMBL
Ki<100000.0 nMPMID17035026BindingDB,ChEMBL

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