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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	Homo sapiens (Human)
Gene	TRHR
Synonym	Thyroliberin receptor TRH receptor TRH-R TRH-R1 TRH1 receptor
Disease	Unspecified Pain Neurodegenerative disease Endocrine disease Cognitive disorders CNS stimulant [ Show all ]
Length	398
Amino acid sequence	MENETVSELNQTQLQPRAVVALEYQVVTILLVLIICGLGIVGNIMVVLVVMRTKHMRTPTNCYLVSLAVADLMVLVAAGLPNITDSIYGSWVYGYVGCLCITYLQYLGINASSCSITAFTIERYIAICHPIKAQFLCTFSRAKKIIIFVWAFTSLYCMLWFFLLDLNISTYKDAIVISCGYKISRNYYSPIYLMDFGVFYVVPMILATVLYGFIARILFLNPIPSDPKENSKTWKNDSTHQNTNLNVNTSNRCFNSTVSSRKQVTKMLAVVVILFALLWMPYRTLVVVNSFLSSPFQENWFLLFCRICIYLNSAINPVIYNLMSQKFRAAFRKLCNCKQKPTEKPANYSVALNYSVIKESDHFSTELDDITVTDTYLSATKVSFDDTCLASEVSFSQS
UniProt	P34981
Protein Data Bank	N/A
GPCR-HGmod model	P34981
3D structure model	This predicted structure model is from GPCR-EXP P34981.
BioLiP	N/A
Therapeutic Target Database	T77796
ChEMBL	CHEMBL1810
IUPHAR	363
DrugBank	BE0008659

Ligand

Name	MLS001138759
Molecular formula	C28H30N4O6
IUPAC name	[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
Molecular weight	518.57
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.4
Synonyms	MCULE-8046531926 SMR000710288 CHEMBL1327994 ZINC24773098 AKOS008019056 HMS3022H08 MolPort-005-737-011 [ Show all ]
Inchi Key	IJDXDKGEZKHTMU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H30N4O6/c1-17(2)13-31(25-26(29)32(28(36)30-27(25)35)14-19-7-5-4-6-8-19)23(33)16-38-24(34)12-20-15-37-22-11-18(3)9-10-21(20)22/h4-11,15,17H,12-14,16,29H2,1-3H3,(H,30,35,36)
PubChem CID	24980222
ChEMBL	CHEMBL1327994
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Potency	29092.9 nM	PubChem BioAssay data set	ChEMBL

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