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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	(6E)-5-imino-2-isobutyl-6-[(4-oxo-4H-chromen-3-yl)methylene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Molecular formula	C19H16N4O3S
IUPAC name	(6E)-5-imino-2-(2-methylpropyl)-6-[(4-oxochromen-3-yl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Molecular weight	380.422
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.1
Synonyms	HMS2603H12 SMR000309728 ZINC5035166 MLS000731453 SR-01000133607 CHEMBL1393008 MolPort-007-655-390 SR-01000133607-1 AKOS001842169 [ Show all ]
Inchi Key	DCGYCKQJUCASPU-NYQGWRSHSA-N
Inchi ID	InChI=1S/C19H16N4O3S/c1-10(2)7-15-22-23-17(20)13(18(25)21-19(23)27-15)8-11-9-26-14-6-4-3-5-12(14)16(11)24/h3-6,8-10,20H,7H2,1-2H3/b13-8+,20-17?
PubChem CID	16193840
ChEMBL	CHEMBL1393008
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	2592.9 nM	PubChem BioAssay data set	ChEMBL

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