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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	MLS000580448
Molecular formula	C12H22N2OS
IUPAC name	N-(azepane-1-carbothioyl)-3-methylbutanamide
Molecular weight	242.381
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.4
Synonyms	CHEMBL1489472 N-(azepane-1-carbothioyl)-3-methylbutanamide HMS3311D16 SR-01000271532-1 AC1MHCOB MolPort-002-124-830 HMS1593K10 SMR000199334 MCULE-5358074134 ZINC5013791 N-(1-azepanylcarbonothioyl)-3-methylbutanamide HMS2166E03 SR-01000271532 [ Show all ]
Inchi Key	JIVYHJYHEHECNX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H22N2OS/c1-10(2)9-11(15)13-12(16)14-7-5-3-4-6-8-14/h10H,3-9H2,1-2H3,(H,13,15,16)
PubChem CID	2949854
ChEMBL	CHEMBL1489472
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	4109.5 nM	PubChem BioAssay data set	ChEMBL

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