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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.
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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	MLS001125585
Molecular formula	C16H11BrN2O3
IUPAC name	5-bromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]furan-2-carboxamide
Molecular weight	359.179
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.1
Synonyms	5-bromo-N''-[(Z)-(2-oxo-1-naphthalenylidene)methyl]-2-furancarbohydrazide AC1O9HTF 5-bromo-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]furan-2-carbohydrazide BB0277923 SR-01000213133 5-bromanyl-N''-[(Z)-(2-oxidanylidenenaphthalen-1-ylidene)methyl]furan-2-carbohydrazide AC1NURTI CHEMBL1983939 5-bromo-N''-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]furan-2-carbohydrazide AKOS000489967 MolPort-001-028-438 5-bromo-N'-[(E)-(2-oxonaphthalen-1-ylidene)methyl]furan-2-carbohydrazide BDBM77590 SR-01000213133-1 5-bromo-N''-[(Z)-(2-keto-1-naphthylidene)methyl]-2-furohydrazide AC1O6RMK cid_6505442 5-bromo-N'-[(2-oxonaphthalen-1-ylidene)methyl]furan-2-carbohydrazide ARONIS000553 SMR000658956 5-bromo-N'-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]furan-2-carbohydrazide STK018914 [ Show all ]
Inchi Key	HLEUDUNWWHNOLP-GIJQJNRQSA-N
Inchi ID	InChI=1S/C16H11BrN2O3/c17-15-8-7-14(22-15)16(21)19-18-9-12-11-4-2-1-3-10(11)5-6-13(12)20/h1-9,20H,(H,19,21)/b18-9+
PubChem CID	135541766
ChEMBL	CHEMBL1983939
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	18356.4 nM	PubChem BioAssay data set	ChEMBL

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