Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

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

NameAC1O5PEJ
Molecular formulaC22H25ClN2O3
IUPAC name(4-benzylpiperazin-1-yl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;hydrochloride
Molecular weight400.903
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogPNone
SynonymsMolPort-002-128-371
1-benzyl-4-[(6-methoxy-3-methyl-1-benzofuran-2-yl)carbonyl]piperazine hydrochloride
CHEMBL1547687
SMR000498874
MLS000999785
[ Show all ]
Inchi KeyHWGJRUVMANGETB-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24N2O3.ClH/c1-16-19-9-8-18(26-2)14-20(19)27-21(16)22(25)24-12-10-23(11-13-24)15-17-6-4-3-5-7-17;/h3-9,14H,10-13,15H2,1-2H3;1H
PubChem CID6461581
ChEMBLCHEMBL1547687
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
Potency6513.1 nMPubChem BioAssay data setChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218