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GLASS

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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.
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GPCR

Name	Thyrotropin-releasing hormone receptor
Species	Mus musculus (Mouse)
Gene	Trhr
Synonym	Thyroliberin receptor TRH receptor TRH-R TRH-R1 TRH1 receptor
Disease	N/A for non-human GPCRs
Length	393
Amino acid sequence	MENDTVSEMNQTELQPQAAVALEYQVVTILLVVIICGLGIVGNIMVVLVVMRTKHMRTPTNCYLVSLAVADLMVLVAAGLPNITDSIYGSWVYGYVGCLCITYLQYLGINASSCSITAFTIERYIAICHPIKAQFLCTFSRAKKIIIFVWAFTSIYCMLWFFLLDLNISTYKNAVVVSCGYKISRNYYSPIYLMDFGVFYVVPMILATVLYGFIARILFLNPIPSDPKENSKMWKNDSIHQNKNLNLNATNRCFNSTVSSRKQVTKMLAVVVILFALLWMPYRTLVVVNSFLSSPFQENWFLLFCRICIYLNSAINPVIYNLMSQKFRAAFRKLCNCKQKPTEKAANYSVALNYSVIKESDRFSTELEDITVTDTYVSTTKVSFDDTCLASEN
UniProt	P21761
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	CHEMBL2467
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL3601781
Molecular formula	C17H20BrN7O3
IUPAC name	N-[(2S)-3-(4-bromo-1H-imidazol-5-yl)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methylpyrazine-2-carboxamide
Molecular weight	450.297
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	0.0
Synonyms	BDBM50109041
Inchi Key	JDIARTVEJLXNKZ-AAEUAGOBSA-N
Inchi ID	InChI=1S/C17H20BrN7O3/c1-9-6-21-12(7-20-9)16(27)24-11(5-10-14(18)23-8-22-10)17(28)25-4-2-3-13(25)15(19)26/h6-8,11,13H,2-5H2,1H3,(H2,19,26)(H,22,23)(H,24,27)/t11-,13-/m0/s1
PubChem CID	122185153
ChEMBL	CHEMBL3601781
IUPHAR	N/A
BindingDB	50109041
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	498.0 nM	PMID26216015	BindingDB,ChEMBL
IC50	<50000.0 nM	PMID26216015	BindingDB,ChEMBL

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