Zhang Lab

National University of Singapore

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 ●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

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Thyrotropin-releasing hormone receptor
Species	Rattus norvegicus (Rat)
Gene	Trhr
Synonym	Thyroliberin receptor TRH receptor TRH-R TRH-R1 TRH1 receptor
Disease	N/A for non-human GPCRs
Length	412
Amino acid sequence	MENETVSELNQTELPPQVAVALEYQVVTILLVVVICGLGIVGNIMVVLVVMRTKHMRTATNCYLVSLAVADLMVLVAAGLPNITDSIYGSWVYGYVGCLCITYLQYLGINASSCSITAFTIERYIAICHPIKAQFLCTFSRAKKIIIFVWAFTSIYCMLWFFLLDLNISTYKDAIVISCGYKISRNYYSPIYLMDFGVFYVMPMILATVLYGFIARILFLNPIPSDPKENSKTWKNDSTHQNKNMNLNTTNRCFNSTVSSRKQVTKMLAVVVILFALLWMPYRTLVVVNSFLSSPFQENWFLLFCRICIYLNSAINPVIYNLMSQKFRAAFRKLCNCKQKPTEKAANYSVALNYSVIKESDRFSTELDDITVTDTYVSTTKVSFDDTCLASEKNGPSSCTYGYSLTAKQEKI
UniProt	Q01717
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4553
IUPHAR	363
DrugBank	N/A

Ligand

Name	CHEMBL365775
Molecular formula	C23H31N9O5
IUPAC name	(2S)-1-[(2S)-2-amino-3-(3-methylimidazol-4-yl)propanoyl]-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Molecular weight	513.559
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	-2.7
Synonyms	1-[(S)-2-Amino-3-(3-methyl-3H-imidazol-4-yl)-propionyl]-5-oxo-pyrrolidine-2-carboxylic acid {2-((S)-2-carbamoyl-pyrrolidin-1-yl)-1-[(S)-1-(1H-imidazol-4-yl)methyl]-2-oxo-ethyl}-amide BDBM50173826
Inchi Key	WKQRLJGRLFCLNV-XSLAGTTESA-N
Inchi ID	InChI=1S/C23H31N9O5/c1-30-12-27-10-14(30)8-15(24)22(36)32-18(4-5-19(32)33)21(35)29-16(7-13-9-26-11-28-13)23(37)31-6-2-3-17(31)20(25)34/h9-12,15-18H,2-8,24H2,1H3,(H2,25,34)(H,26,28)(H,29,35)/t15-,16-,17-,18-/m0/s1
PubChem CID	44403976
ChEMBL	CHEMBL365775
IUPHAR	N/A
BindingDB	50173826
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	0.5 nM	PMID16162016	BindingDB,ChEMBL
Ki	3.0 nM	PMID16162016	BindingDB,ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417