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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

NameMLS000536105
Molecular formulaC17H11ClF3N3O3S2
IUPAC name(5Z)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Molecular weight461.858
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP5.2
Synonyms(5Z)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-4-thiazolidinone
HMS2387P16
AC1M53MS
SMR000155363
CHEMBL1416493
[ Show all ]
Inchi KeyDYMWDFDNPDHJPE-ACAGNQJTSA-N
Inchi IDInChI=1S/C17H11ClF3N3O3S2/c1-27-12-4-8(2-3-11(12)25)5-13-15(26)24(16(28)29-13)23-14-10(18)6-9(7-22-14)17(19,20)21/h2-7,25H,1H3,(H,22,23)/b13-5-
PubChem CID2321190
ChEMBLCHEMBL1416493
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Potency10322.5 nMPubChem BioAssay data setChEMBL

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