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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	CHEMBL388812
Molecular formula	C20H30N6O4
IUPAC name	(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propan-2-yl-1H-imidazol-5-yl)propan-2-yl]-6-oxopiperidine-2-carboxamide
Molecular weight	418.498
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	-0.9
Synonyms	(2S)-1-[(2S)-2-(2S)-6-oxohexahydro-2-pyridinylcarboxamido]-3-(2-isopropyl-1H-imidazolyl)propanoyl]-azalone-2-carboxamide BDBM50196456
Inchi Key	HMHUEOPFYVPOJC-KKUMJFAQSA-N
Inchi ID	InChI=1S/C20H30N6O4/c1-11(2)18-22-10-12(23-18)9-14(20(30)26-8-4-6-15(26)17(21)28)25-19(29)13-5-3-7-16(27)24-13/h10-11,13-15H,3-9H2,1-2H3,(H2,21,28)(H,22,23)(H,24,27)(H,25,29)/t13-,14-,15-/m0/s1
PubChem CID	44422085
ChEMBL	CHEMBL388812
IUPHAR	N/A
BindingDB	50196456
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	<100000.0 nM	PMID17035026	BindingDB,ChEMBL
Ki	<100000.0 nM	PMID17035026	BindingDB,ChEMBL

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